Name: 148355-75-3|3-(Methylsulfonylamino)phenylboronic Acid|98%
Brand: Ambeed
SKU: A379575
Price: 7.0 USD
Availability: InStock
Rating: 95 (32 reviews)

1
[ 867330-26-5 ]
[ 148355-75-3 ]
[ 867331-23-5 ]

Yield	Reaction Conditions	Operation in experiment
82%	With sodium carbonate In 1,2-dimethoxyethane; ethanol; water for 4h; Heating / reflux;	99 Synthesis of N-[3-(3-amino-5-methyl-benzo[1,2,4]triazin-7-yl)-phenyl]-methanesulfonamide Example 99 Synthesis of N-[3-(3-amino-5-methyl-benzo[1,2,4]triazin-7-yl)-phenyl]-methanesulfonamide An oven dried 25 mL round bottom flask was charged with 7-bromo-5-methyl-benzo[1,2,4]triazin-3-ylamine (0.889 g, 3.72 mmol, 1 equiv), 3-(methylsulfonylamino) phenyl boronic acid (1.12 g, 5.21 mmol, 1.4 equiv), sodium carbonate (1.57 g, 14.9 mmol, 4 equiv) and tetrakis(triphenylphosphine)palladium(0) (0.43 g, 0.372 mmol, 0.1 equiv). The reactants were flushed with argon and diluted with ethylene glycol dimethyl ether (20 mL), ethanol (5 mL) and DI water (5 mL). The reaction vessel was outfitted with condenser and refluxed for 4 hours. The reaction was filtered hot and diluted with ethyl acetate. The Organic layer was isolated and concentrated to a dark residue. This was dissolved in DMF (6 mL) and slowly diluted with water so as to precipitate out the product. Solids were filtered off and dried to yield an orange solid (1 g, 82% yield).
80%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In 1,2-dimethoxyethane; ethanol; water for 3h; Heating;

Reference： [1]Current Patent Assignee: SANOFI - US2005/245524, 2005, A1 Location in patent: Page/Page column 52
[2]Noronha, Glenn; Barrett, Kathy; Boccia, Antonio; Brodhag, Tessa; Cao, Jianguo; Chow, Chun P.; Dneprovskaia, Elena; Doukas, John; Fine, Richard; Gong, Xianchang; Gritzen, Colleen; Gu, Hong; Hanna, Ehab; Hood, John D.; Hu, Steven; Kang, Xinshan; Key, Jann; Klebansky, Boris; Kousba, Ahmed; Li, Ge; Lohse, Dan; Mak, Chi Ching; McPherson, Andrew; Palanki, Moorthy S.S.; Pathak, Ved P.; Renick, Joel; Shi, Feng; Soll, Richard; Splittgerber, Ute; Stoughton, Silva; Tang, Suhan; Yee, Shiyin; Zeng, Binqi; Zhao, Ningning; Zhu, Hong [Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 3, p. 602 - 608]

2
[ 862730-04-9 ]
3-(methylsulfonamido)phenylboronic acid [ No CAS ]
N-[3-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-phenyl]-methanesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
54%	With sodium carbonate;tetrakis(triphenylphosphine) palladium(0); In 1,2-dimethoxyethane; ethanol; water; at 80℃;	Synthesis of N-[3-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-phenyl]-methanesulfonamide (BA38); A solution of 3-Methanesulfonylaminophenylboronic acid (32 mg, 0.15 mmol) in EtOH (3.3 ml) was added to a solution of <strong>[862730-04-9]3-iodo-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine</strong> (40 mg, 0.13 mmol) in DME (12 ml). Pd(PPh3)4 (16 mg, 0.014 mmol) and saturated Na2CO3 (1.9 ml) were added and the reaction was heated to 80 C. under an argon atmosphere overnight. After cooling, the reaction was extracted with saturated NaCl and CH2Cl2. Organic phases were combined, concentrated in vacuo and purified by RP-HPLC (MeCN:H2O:0.1% TFA) to yield BA38 (24.3 mg, 54% yield). ESI-MS (M+H)+ m/z calcd 347.1, found 347.0.

Reference： [1]Patent: US2007/293516,2007,A1 .Location in patent: Page/Page column 14; 18

3
[ CAS Unavailable ]
[ 148355-75-3 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
65%	With caesium carbonate In dimethyl sulfoxide at 60℃; for 4h;	145 Aryl iodide (82)(0.04 mmol), boronic acid (182)(0.08 mmol), cesium carbonate (0.08 mmol) and palladium catalyst(0.008 mmol) are combined in a reaction vial and flushed with argon. DMSO (1 mL) is then added to reaction mixture and stirred under nitrogen at 60° C. for 4 hours. The reaction solution was cooled to rt and diluted with water and extracted 3×5 mL of EtOAc. The organic layers were collected, dried over MgSO4, and concentrated. The crude material was purified byd HPLC. 65% yield. MS (ESI(+)) m/e 586.1 (M+H)+.

Reference： [1]Current Patent Assignee: INFINITY PHARMACEUTICALS INC - US2006/25460, 2006, A1 Location in patent: Page/Page column 140-141

4
[ CAS Unavailable ]
[ 148355-75-3 ]
[ 875917-21-8 ]

Yield	Reaction Conditions	Operation in experiment
30%	With caesium carbonate In 1,4-dioxane; water at 80℃; for 16h;	1 A mixture of Intermediate 2 (400 mg, 1.08 mmol) and 3-methylsulfonamide phenyl boronic acid (352 mg, 1.62 mmol, Combi-Blocks) in dioxane (50 ml) was treated with cesium carbonate (536 mg, 1.62 mmol) and water (15 ml) and degassed with argon for 2 min. Palladium (II) acetate (12 mg, 0.05 mmol) and triphenylphosphine (56 mg, 0.22 mmol) were added and the mixture was stirred at 80 °C under argon for 16 h. The reaction mixture was cooled, then partitioned between ethyl acetate (50 ml) and water (50 ml). The organic layer was separated and dried over Na2S04 and evaporated in vacuo to give a brown oil (703 mg). This crude oil was purified using flash chromatography to give the title compound as a white solid (136 mg, 30% ); mass spectrum (ES') : Found 407 (MH"). C19H24N2O4S2 requires 408; 1H-NMR (400MHz, CDCI3) 5 1.39 (6H, d, J = 7 Hz), 2.97 (2H, m), 3.05 (3H, s), 3.21 (1H, m), 3.37 (2H, m), 4.34 (1H, m), 6.52 (1H, bs), 7.18 (1H, m), 7.24 (1H, m,), 7.29 (1H, d, J = 7 Hz), 7.40 (4H, m).
30%	With palladium diacetate; caesium carbonate; triphenylphosphine In 1,4-dioxane; water at 80℃; for 16h; Inert atmosphere;

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2006/15829, 2006, A1 Location in patent: Page/Page column 28
[2]Location in patent: experimental part Ward, Simon E.; Harries, Mark; Aldegheri, Laura; Andreotti, Daniele; Ballantine, Stuart; Bax, Benjamin D.; Harris, Andrew J.; Harker, Andy J.; Lund, Jesper; Melarange, Rosemary; Mingardi, Anna; Mookherjee, Claudette; Mosley, Julie; Neve, Marta; Oliosi, Beatrice; Profeta, Roberto; Smith, Kathrine J.; Smith, Paul W.; Spada, Simone; Thewlis, Kevin M.; Yusaf, Shahnaz P. [Journal of Medicinal Chemistry, 2010, vol. 53, # 15, p. 5801 - 5812]

5
[ 1152475-62-1 ]
[ 148355-75-3 ]
[ 1152475-64-3 ]

Yield	Reaction Conditions	Operation in experiment
68%	Stage #1: 2-chloro-7-iodo-5-methyl-5H-pyrrolo[3,2-d]pyrimidine; 3-(methylsulfonamido)phenylboronic acid With water; sodium carbonate In N,N-dimethyl-formamide for 0.25 - 0.333333h; Stage #2: In N,N-dimethyl-formamide at 100℃;	16.2 [0100] To a solution of 2-chloro-7-iodo-5-methyl-5H-pyrrolo[3,2-d]pyrimidine (0.140 g, 0.48 mmol, 1.0 eq.) in DMF (6 ml) was added 3- methanesulfonylaminophenylboronic acid (0.124 g, 0.576 mmol, 1.2 eq.) followed by aqueous Na2CO3 (2M, 0.7 ml, 1.44 mmol, 3.0 eq.). A flow of nitrogen was bubbled through the mixture during 15 to 20 min before adding Pd[PPh3J4 (0.055 g, 0.048 mmol, 0.1 eq.). The mixture was then heated up to 1000C overnight. After cooling down the reaction mixture to room temperature a large amount of water (around 60 ml) was added and the mixture extracted with ethyl acetate (3 times). After evaporation the residue was purified by column chromatography using petroleum spirit/ethyl acetate (1 :4) as eluent. The product was obtained as a pale yellow solid (110 mg, 68%). LRMS (EI): m/z calcd for [M+H]+ 337.05 found 337.2.

Reference： [1]Current Patent Assignee: GILEAD SCIENCES INC - WO2009/62258, 2009, A1 Location in patent: Page/Page column 100

6
[ 1174390-55-6 ]
[ 148355-75-3 ]
[ 1174390-53-4 ]

Yield	Reaction Conditions	Operation in experiment
62%	With caesium carbonate; triphenylphosphine In 1,4-dioxane; water at 80℃; for 16h;	1 Example 1 λ/^S^S'-KmethylsulfonylJaminol^-biphenyly^cyclopentylJ^-propanesulfonamide A mixture of /V-β-^-iodophenyOcyclopentyl^-propanesulfonamide (90mg, 0.23mmol), 3- [(methylsulfonyl)amino]phenylboronic acid (54mg, 0.25mmol) and cesium carbonate (106mg, 0.33mmol) in a 3:1 mixture of 1 ,4-dioxane:water (6ml) was degassed with argon for 10mins. To this solution was added triphenylphosphine (22mg, O.Oδmmol) and palladium (II) acetate (4mg, 0.02mmol), and the whole mixture was stirred at 8O0C for 16h. The reaction mixture was allowed to cool to room temperature and partitioned between ethyl acetate (10ml) and water (10ml). The organic layer was removed, dried over sodium sulfate and evaporated to dryness under reduced pressure. The crude product was chromatographed on a 10g isolute silica sep-pak column eluting from 0- 50% ethyl acetate in 40-600C petroleum ether to give the title compound as an oil (62mg, 62%).Mass Spectrum (API-): Found 435 (MH-). C21 H28N2O4S2 requires 436.1 H-NMR (400MHz, DMSO D6): 1.24 (6H, m), 1.59 (2H, m), 1.71 (2H, m), 2.01 (2H, m), 3.03 (3H, s), 3.15 (2H, m), 3.72-3.91 (2H, m), 7.21 (2H, m), 7.35-7.44 (4H, m), 7.53 (2H, m), 9.84 (1 H, m).

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2009/92712, 2009, A1 Location in patent: Page/Page column 22-23

7
[ 1174390-08-9 ]
[ 148355-75-3 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
56%	With caesium carbonate In 1,4-dioxane; water at 80℃; for 16h;	1 A mixture of cis-N-{2-[(4-iodophenyl)methyl]cyclopentyl}-2-propanesulfonamide (70mg, 0.17mmol), 3-methanesulphonamidophenylboronic acid (41 mg, 0.19mmol) and cesium carbonate (81 mg, 0.25mmol) in a 3:1 mixture of 1 ,4-dioxane:water (5ml) was degassed with argon for 10mins. To this solution was added triphenylphosphine (9mg, 0.034mmol) and palladium (II) acetate (2.2mg, 0.01 mmol), and the whole mixture was stirred at 8O0C for 16h. The reaction mixture was allowed to cool to room temperature and partitioned between ethyl acetate (6ml) and water (8ml). The organic layer was removed, dried over sodium sulfate and evaporated to dryness under reduced pressure. The crude product was purified using mass directed auto-prep to give the title compound as an oil (43mg, 56%).Mass Spectrum (API-): Found 449 (MH-). C22H30N2O4S2 requires 450. 1 H-NMR (400MHz, CDCI3): 1.39 (6H, m), 1.53-1.79 (5H, m), 2.03 (1 H, m), 2.27 (1 H, m), 2.47 (1 H, m), 2.98 (1 H, m), 3.04 (3H, s), 3.15 (1 H, m), 3.89 (1 H, m), 4.10 (1 H, m), 7.17 (2H, m), 7.26 (3H, m), 7.41 (2H, m), 7.49 (2H, m).

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2009/92713, 2009, A1 Location in patent: Page/Page column 23

8
[ 1219831-79-4 ]
[ 148355-75-3 ]
[ 1219833-45-0 ]

Yield	Reaction Conditions	Operation in experiment
62%	With sodium carbonate In methanol; dichloromethane at 115℃; for 0.25h; Irradiation;	12.1 Example 12N-{3-[7-tert-Butyl-5-(2-oxo-1,2-dihydro-pyridin-3-yl)-benzofuran-3-yl]-phenyl}-methanesulfonamide (I-82) step 1 -A microwave vial was charged with 44 (0.2 g, 0.499 mmol, R2=CMe3), 3-(methanylsulfonylamino)benzene boronic acid (0.107 g, 0.499 mmol), Na2CO3 (0.106 g, 0.997 mmol), Pd(PPh3)4 (0.029 g, 0.0249 mmol), MeOH (5 mL) and DCM (1.25 mL), sealed and irradiated in a microwave synthesizer at 115° C. for 10 min. The reaction mixture was cooled to RT and partitioned between DCM and H2O. The aqueous phase was back-extracted with DCM and the combined DCM extracts were dried (MgSO4), filtered and concentrated. The crude product was purified by SiO2 chromatography (Analogix, 12 g) eluting with a EtOAc/hexane gradient (10 to 30% EtOAc) to afford 128 mg (62%) of 58.

Reference： [1]Current Patent Assignee: ROCHE HOLDING AG - US2010/81658, 2010, A1 Location in patent: Page/Page column 35

9
[ 1033436-17-7 ]
[ 148355-75-3 ]
[ 1033435-15-2 ]

Yield	Reaction Conditions	Operation in experiment
38%	With caesium carbonate In 1,2-dimethoxyethane; ethanol; water at 50℃; Inert atmosphere;	1 Example 1; N-[4'-(4-Amino-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-2'-chloro-5'-methylbiphenyl-3-yl]methane sulphonamide; 70.0 mg (0.19 mmol) 4-amino-3-(4-bromo-5-chloro-2-methylphenyl)-1-oxaspiro[4.5]dec-3-en-2-one, 60.9 mg (0.28 mmol) {3-[(methylsulphonyl)amino]phenyl}boronic acid and 184.6 mg (0.57 mmol) caesium carbonate are suspended in a mixture of 3 ml dimethoxyethane, 1 ml ethanol and 2 ml water. Argon is then passed through the mixture for 30 min. The suspension is treated with 17.5 mg (0.02 mmol) tetrakis(triphenylphosphine)palladium(0) under argon, the reaction is heated to 50° C. and stirred overnight at this temperature. For work-up the solvent is completely removed with a rotary evaporator and after purification by preparative RP-HPLC (Method 6) 34 mg (38% th.) of the target compound are obtained.LC-MS (Method 3): Rt=2.35 min, m/z=461 (M+H)+ 1H NMR (400 MHz, DMSO-d6), δ=9.89 (s, 1H), 7.42 (t, 1H), 7.28 (s, 2H), 7.22 (m, 2H), 7.16 (d, 1H), 7.05 (bs, 2H), 3.04 (s, 3H), 1.17 (s, 3H), 1.92 (m, 2H), 1.78-1.45 (m, 7H), 1.25 (m, 1H).

Reference： [1]Current Patent Assignee: BAYER AG - US2010/105673, 2010, A1 Location in patent: Page/Page column 15

10
[ 13535-01-8 ]
3-(methylsulfonamido)phenylboronic acid [ No CAS ]
[ 1220690-56-1 ]

Yield	Reaction Conditions	Operation in experiment
76%	With cesium fluoride;(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In acetonitrile; at 180℃; for 0.25h;microwave irradiation;	To a microwave vial 5-bromopyridin-3-amine (1.0 g, 5.78 mmol), 3-(methylsulfonamido) phenylboronic acid (1.49 g, 6.94 mmol), CH3CN (10 mL), CsF (1.69 g, 11.56 mmol), Pd(dppf)Cl2 (0.85 g, 1.16 mmol) were added and the mixture was heated at 180 0C for 15 minutes. Mixture was cooled to room temperature, concentrated and separated by flash silica gel column chromatography using 1-5 % dichloromethane in methanol as solvent to afford N-(3 -(5 -aminopyridin-3-yl)phenyl)methanesulfonamide (1.14 g, 76 % yield).

Reference： [1]Patent: WO2010/39957,2010,A1 .Location in patent: Page/Page column 24

11
[ 1268826-55-6 ]
[ 148355-75-3 ]
[ 1268826-31-8 ]

Yield	Reaction Conditions	Operation in experiment
39%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate In 1,2-dimethoxyethane; water at 150℃; for 0.416667h; Inert atmosphere; Microwave irradiation;	6.1.1.2. Method B General procedure: A mixture of arylbromide (1 equiv), boronic acid (1.2 equiv), sodium carbonate (2 equiv), and tetrakis(triphenylphosphine) palladium (0) (0.02 equiv) was suspended in an oxygen-free DME/water (2:1) solution. The reaction mixture was exposed to microwave irradiation (25 min, 150 W, 150 °C, 15 bar). After reaching room temperature, water was added and the aqueous layer was extracted with ethyl acetate. The combined organic layers were washed with brine, dried over sodium sulfate and concentrated to dryness under reduced pressure. The product was purified by column chromatography.

Reference： [1]Wetzel, Marie; Marchais-Oberwinkler, Sandrine; Hartmann, Rolf W. [Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 2, p. 807 - 815]

12
[ 934697-18-4 ]
[ 148355-75-3 ]
[ 1268850-26-5 ]

Yield	Reaction Conditions	Operation in experiment
75%	With PdPCy₃; sodium carbonate In 1,2-dimethoxyethane; water at 150℃; for 0.5h; Inert atmosphere; Microwave irradiation;	5.2.8. General procedure 8: Suzuki coupling of intermediates 14d-14f, 17d-17f, 21 and 22 with aryl or heteroaryl boronic acids or esters General procedure: The chloropyrimidine (1.0 equiv), boronic acid or ester (2.2 equiv), Bedford catalyst 29 (0.05 equiv) and 2 M aqueous Na2CO3 (2.2 equiv) were dissolved in 1,2-DME. The solution was degassed and backfilled with nitrogen, then stirred with microwave heating at 150 °C for 30 min. The reaction mixture was cooled, absorbed onto a plug of silica (100 mg) and eluted (CHCl3/MeOH, 9:1). The crude product was obtained by evaporating the filtrate in vacuo and purified by one of the following methods:Method A: The crude compound was dissolved in methanol and purified using an SCX-2 ion exchange column, eluting first with MeOH, then 2 M NH3 in MeOH.Method B: Purification by preparative TLC using the specified eluent.Method C: Recrystallisation from MeOH/CHCl3/hexane, 1:1:4.

Reference： [1]Location in patent: experimental part Large, Jonathan M.; Torr, Jane E.; Raynaud, Florence I.; Clarke, Paul A.; Hayes, Angela; Stefano, Francesca Di; Urban, Frederique; Shuttleworth, Stephen J.; Saghir, Nahid; Sheldrake, Peter; Workman, Paul; McDonald, Edward [Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 2, p. 836 - 851]

13
[ 934697-19-5 ]
[ 148355-75-3 ]
[ 1268850-27-6 ]

Yield	Reaction Conditions	Operation in experiment
95%	With PdPCy₃; sodium carbonate In 1,2-dimethoxyethane; water at 150℃; for 0.5h; Inert atmosphere; Microwave irradiation;	5.2.8. General procedure 8: Suzuki coupling of intermediates 14d-14f, 17d-17f, 21 and 22 with aryl or heteroaryl boronic acids or esters General procedure: The chloropyrimidine (1.0 equiv), boronic acid or ester (2.2 equiv), Bedford catalyst 29 (0.05 equiv) and 2 M aqueous Na2CO3 (2.2 equiv) were dissolved in 1,2-DME. The solution was degassed and backfilled with nitrogen, then stirred with microwave heating at 150 °C for 30 min. The reaction mixture was cooled, absorbed onto a plug of silica (100 mg) and eluted (CHCl3/MeOH, 9:1). The crude product was obtained by evaporating the filtrate in vacuo and purified by one of the following methods:Method A: The crude compound was dissolved in methanol and purified using an SCX-2 ion exchange column, eluting first with MeOH, then 2 M NH3 in MeOH.Method B: Purification by preparative TLC using the specified eluent.Method C: Recrystallisation from MeOH/CHCl3/hexane, 1:1:4.

Reference： [1]Location in patent: experimental part Large, Jonathan M.; Torr, Jane E.; Raynaud, Florence I.; Clarke, Paul A.; Hayes, Angela; Stefano, Francesca Di; Urban, Frederique; Shuttleworth, Stephen J.; Saghir, Nahid; Sheldrake, Peter; Workman, Paul; McDonald, Edward [Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 2, p. 836 - 851]

14
[ 914225-58-4 ]
3-(methylsulfonamido)phenylboronic acid [ No CAS ]
N-(4'-amino-2'-chloro-6'-(trifluoromethyl)biphenyl-3-yl)methanesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%	With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,4-dioxane; water; at 100℃; under 760.051 Torr; for 18h;Inert atmosphere;	A mixture of <strong>[914225-58-4]4-bromo-3-chloro-5-(trifluoromethyl)aniline</strong> (573 mg, 2.09 mmol, Eq: 1.00), 3- (methylsulfonamido)phenylboronic acid (529 mg, 2.46 mmol, Eq: 1.18) and tetrakis(triphenylphosphine)palladium (0) (211 mg, 183 μιηο, Eq: 0.0875) was degassed (vacuum / nitrogen cycles) then degassed dioxane (6.87 ml) (nitrogen bubbling with sonication) and a degassed (nitrogen bubbling with sonication) 2M solution of sodium carbonate in water (1.83 ml, 3.66 mmol, Eq: 1.75) were added. The mixture was stirred at 100 C for 18h. The reaction mixture was adsorbed unto silica (2g), concentrated and purified on silica gel (silica 40g, dichloromethane/ethyl acetate 100:0 to 80:20) to give 574 mg (75%) of the desired product as a yellow solid. MS +m/z: 365.0 (M+H)+

Reference： [1]Patent: WO2014/135423,2014,A1 .Location in patent: Page/Page column 40

15
[ 1706749-51-0 ]
[ 148355-75-3 ]
[ 1706738-10-4 ]

Yield	Reaction Conditions	Operation in experiment
69.8%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium phosphate In 1,4-dioxane; water at 90℃; for 0.666667h; Microwave irradiation;	51.3 N-[3-(2-methyl-1 -oxo-2,7-naphthyridin-4-yl)phenyl]methanesulfonamide A mixture of 4-bromo-2-methyl-2,7-naphthyridin-1-one (50 mg, 0.21 mmol), [3-(methanesulfonamido)phenyl]boronic acid (68 mg, 0.31 mmol), Pd(dppf)Cl2 (15.3 mg, 0.021 mmol) and aqueous K3PO4 (1 M, 0.3 mL, 0.3 mmol) in dioxane (3 mL) was microwaved at 90° C. for 40 min. Purification by silica gel chromatography (PE:EA=100:1 to 1:1) followed by preparative HPLC gave the title compound (48.1 mg, 69.8%) as a white solid. 1H NMR (400 MHz, Methanol-d4) δ 9.56 (s, 1H), 8.68 (d, J=6.4 Hz, 1H), 7.96 (s, 1H), 7.81 (d, J=6.4 Hz, 1H), 7.51 (t, J=7.6 Hz, 1H), 7.37 (d, J=2.0 Hz, 1H), 7.34 (d, J=1.6 Hz, 1H), 7.26 (d, J=7.6 Hz, 1H), 3.71 (s, 3H), 3.03 (s, 3H). LCMS: 330.0 (M+H)

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2015/111885, 2015, A1 Location in patent: Paragraph 0464; 0465

16
[ 1802474-34-5 ]
[ 148355-75-3 ]
[ 1802474-36-7 ]

Yield	Reaction Conditions	Operation in experiment
79%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In 1,4-dioxane; water at 80℃; for 18h; Inert atmosphere;	150 Example 150N- { 3’- [(5aS,6S,9aR)-8-cyano-2,6-dimethyl-7-oxo-9a-phenyl-4,5,5 a,6,7,9a-hexahydro-2H- benzo [g] indazol-3 -yl]biphenyl-3 -yl} methanesulfonamide Example 150N- { 3’- [(5aS,6S,9aR)-8-cyano-2,6-dimethyl-7-oxo-9a-phenyl-4,5,5 a,6,7,9a-hexahydro-2H- benzo [g] indazol-3 -yl]biphenyl-3 -yl} methanesulfonamideExample 148D (0.05 g, 0.106 mmol), [1,1’-bis(diphenyl)phosphine)ferrocene] dichloropalladium(II) (0.0077 g, 0.0105 mmol), cesium carbonate (0.103 g, 0.318 mmol), and 3-(methylsulfonylamino)phenylboronic acid (0.068 g,0.318 mmol) were dissolved in dioxane (3 mL) and water (0.3 mL). Then nitrogen gas was bubbled through the mixture for 10 minutes followed by heating at 80 °C for 18 hours. After cooling to ambient temperature, 1 N aqueous ammonium chloride was added followed by extraction with ethyl acetate. The organic extracts were dried over anhydrous magnesium sulfate, filtered, and concentrated by rotary evaporation. The resultant residue was dissolvedin dichloromethane, and the solution was applied to a silica gel flash chromatography column eluted with 0% to 100% ethyl acetate in heptane to afford the titled compound (0.047 g, 79%). ‘HNMR(400 MHz, CDC13) ppm 8.51 (s, 1H), 7.63 (m, 3H), 7.47 (m, 4H), 7.32 (m, 3H), 7.22 (m, 1H), 6.99 (d, J=7.4 Hz, 2H), 6.47 (s, 1H), 3.87 (s, 3H), 3.08 (m, 3H), 2.79 (m, 2H), 2.43 (m, 2H), 1.83 (dd, J=13.6, 6.7 Hz, 1H), 1.57 (m, 1H), 1.17 (d, J=6.4 Hz, 3H); MS(ESI+) m/z 563 (M+H).
79%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In 1,4-dioxane; water at 80℃; for 18h; Inert atmosphere;	150 N-{3'-[(5aS,6S,9aR)-8-cyano-2,6-dimethyl-7-oxo-9a-phenyl-4,5,5a,6,7,9a-hexahydro-2H-benzo[g]indazol-3-yl]biphenyl-3-yl}methanesulfonamide Example 148D (0.05 g, 0.106 mmol), [1,1′-bis(diphenyl)phosphine)ferrocene]dichloropalladium(II) (0.0077 g, 0.0105 mmol), cesium carbonate (0.103 g, 0.318 mmol), and 3-(methylsulfonylamino)phenylboronic acid (0.068 g, 0.318 mmol) were dissolved in dioxane (3 mL) and water (0.3 mL). Then nitrogen gas was bubbled through the mixture for 10 minutes followed by heating at 80° C. for 18 hours. After cooling to ambient temperature, 1 N aqueous ammonium chloride was added followed by extraction with ethyl acetate. The organic extracts were dried over anhydrous magnesium sulfate, filtered, and concentrated by rotary evaporation. The resultant residue was dissolved in dichloromethane, and the solution was applied to a silica gel flash chromatography column eluted with 0% to 100% ethyl acetate in heptane to afford the titled compound (0.047 g, 79%). 1H NMR (400 MHz, CDCl3) δ ppm 8.51 (s, 1H), 7.63 (m, 3H), 7.47 (m, 4H), 7.32 (m, 3H), 7.22 (m, 1H), 6.99 (d, J=7.4 Hz, 2H), 6.47 (s, 1H), 3.87 (s, 3H), 3.08 (m, 3H), 2.79 (m, 2H), 2.43 (m, 2H), 1.83 (dd, J=13.6, 6.7 Hz, 1H), 1.57 (m, 1H), 1.17 (d, J=6.4 Hz, 3H); MS (ESI+) m/z 563 (M+H)+.

Reference： [1]Current Patent Assignee: REATA PHARMACEUTICALS, INC. - WO2015/112792, 2015, A1 Location in patent: Page/Page column 346
[2]Current Patent Assignee: REATA PHARMACEUTICALS, INC. - US2015/225397, 2015, A1 Location in patent: Paragraph 1625

17
[ 1866801-21-9 ]
[ 148355-75-3 ]
[ 2548400-31-1 ]

Yield	Reaction Conditions	Operation in experiment
90%	With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate In 1,4-dioxane; water at 80℃; Sealed tube; Inert atmosphere;	6 2.2. Synthesis General procedure: The reaction mixture containing aryl halide, 1(a-g) (1 Equiv), aryl boronic acid (1.1 Equiv) and potassium carbonate (1.5 Equiv) was taken in a sealed tube containing 1:3 ratio of water:1,4-dioxane. The nitrogen gas was purged into the sealed tube for 15 min. The catalyst bis(triphenylphosphine)palladium(II) dichloride of 0.1 equivalent was added to the reaction mixture and stirred at 80 °C for 1-2 h. The completion of the reaction was confirmed by thin layer chromatography. The reaction mixturewas filtered through the celite and the collected filtrate was extracted with chloroform. The chloroform layer was washed several times with water. The residual moisture was removed by drying over anhydrous sodium sulfate and concentrated under reduced pressure. The obtained crude productwas purified by column chromatography using petroleum ether and ethyl acetate as a solvent system (Scheme 1).

Reference： [1]Hemalatha; Madhumitha; Ravi, Lokesh; Khanna, V. Gopiesh; Al-Dhabi, Naif Abdullah; Arasu, Mariadhas Valan [Journal of Photochemistry and Photobiology B: Biology, 2016, vol. 161, p. 71 - 79]

18
[ 2183526-77-2 ]
[ 148355-75-3 ]
[ 2548400-32-2 ]

Yield	Reaction Conditions	Operation in experiment
87%	With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate In 1,4-dioxane; water at 80℃; Sealed tube; Inert atmosphere;	7 2.2. Synthesis General procedure: The reaction mixture containing aryl halide, 1(a-g) (1 Equiv), aryl boronic acid (1.1 Equiv) and potassium carbonate (1.5 Equiv) was taken in a sealed tube containing 1:3 ratio of water:1,4-dioxane. The nitrogen gas was purged into the sealed tube for 15 min. The catalyst bis(triphenylphosphine)palladium(II) dichloride of 0.1 equivalent was added to the reaction mixture and stirred at 80 °C for 1-2 h. The completion of the reaction was confirmed by thin layer chromatography. The reaction mixturewas filtered through the celite and the collected filtrate was extracted with chloroform. The chloroform layer was washed several times with water. The residual moisture was removed by drying over anhydrous sodium sulfate and concentrated under reduced pressure. The obtained crude productwas purified by column chromatography using petroleum ether and ethyl acetate as a solvent system (Scheme 1).

Reference： [1]Hemalatha; Madhumitha; Ravi, Lokesh; Khanna, V. Gopiesh; Al-Dhabi, Naif Abdullah; Arasu, Mariadhas Valan [Journal of Photochemistry and Photobiology B: Biology, 2016, vol. 161, p. 71 - 79]

19
[ 110-91-8 ]
[ 24589-99-9 ]
[ 148355-75-3 ]
[ 1931123-90-8 ]

Yield	Reaction Conditions	Operation in experiment
96%	With lanthanum(lll) triflate In 1,4-dioxane at 80℃; for 0.0333333h; Inert atmosphere; Microwave irradiation;	Synthesis of methyl 3-((2-chlorophenyl)(morpholino)methyl)-4-hydroxybenzoate (4a)MWI method General procedure: A dry Pyrex tube fitted with an air-tight rubber cap was charged with methyl 3-formyl-4-hydroxybenzoate (1a, 100 mg, 0.55 mmol), morpholine (2a, 48 mg, 0.55 mmol), and 2-chloro phenylboronic acid (3a, 86.0 mg, 0.55 mmol). Under argon, La(OTf)3 (3.0 mg, 0.005 mmol) and argon-purged 1,4-dioxane (2 mL) were added. The resulting mixture was placed in the CEM microwave reactor and allowed to react at 39-110°C for 2-22 min (Table 2). Then the reaction mixture was cooled and filtered and the filtrate was transferred to a separating funnel and diluted with ethyl acetate and water. The organic phase was separated and dried over anhydrous sodium sulfate. The organic solution was filtered and the filtrate concentrated prior to silica gel chromatography using hexane-ethyl acetate (50:1). The fractions were concentrated and dried in vacuum to get 196 mg (yield, 98 %) of methyl 3-((2-chlorophenyl)(morpholino)methyl)-4-hydroxybenzoate (4a) as a white solid, m.p. 140-142°C. The used catalyst from different experiments was combined by filtration, washed with ether and dried overnight in a vacuum oven and reused for further reactions.

Reference： [1]Reddy, Bijivemula N.; Rani, Chinthaparthi Radha; Reddy; Pathak, Madhvesh [Research on Chemical Intermediates, 2016, vol. 42, # 10, p. 7533 - 7549]

20
[ 5198-80-1 ]
[ 148355-75-3 ]
[ 1445692-72-7 ]

Yield	Reaction Conditions	Operation in experiment
100%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate In 1,2-dimethoxyethane; ethanol at 100℃; for 24h;	General procedure B for the Suzuki reaction of 2-bromothiazole-4-carboxaldehyde with arylboronic acids. General procedure: To a microwave vial was added 2-bromothiazole-4-carboxaldehyde (0.520 mmol), Pd(PPh3)4 (60.0mg, 0.052 mmol), Na2CO3 (1.56 mmol) and the requisite aryl boronic acid (0.620 mmol). Thereaction vessel was purged with N2, before addition of degassed EtOH and 1,2-dimethoxyethane (5.0mL, (1:1)) and (2.6 mL). The reaction vessel was then sealed and heated at 100°C for 24 h. Aftercooling to room temperature the mixture was diluted with EtOAc and passed through a short pad ofCelite, eluting with EtOAc. The solution was then concentrated under reduced pressure and purifiedby column chromatography (SiO2).

Reference： [1]Bataille, Carole J.R.; Brennan, Méabh B.; Byrne, Simon; Davies, Stephen G.; Durbin, Matthew; Fedorov, Oleg; Huber, Kilian V.M.; Jones, Alan M.; Knapp, Stefan; Liu, Gu; Nadali, Anna; Quevedo, Camilo E.; Russell, Angela J.; Walker, Roderick G.; Westwood, Robert; Wynne, Graham M. [Bioorganic and Medicinal Chemistry, 2017, vol. 25, # 9, p. 2657 - 2665]

21
[ 2065-37-4 ]
3-(methylsulfonamido)phenylboronic acid [ No CAS ]
2-(3-(methylsulfonylamino)phenyl)-1,4-naphthoquinone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
92%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate In tetrahydrofuran; water at 65℃; for 20h; Inert atmosphere;	4.3. General synthetic procedures for arylnaphthoquinones 3a-r General procedure: Under exclusion of air or humidity, bromonaphthoquinone 2(237 mg, 1 mmol) and Cs2CO3 (489 mg, 1.5 mmol) were addedsuccessively to a stirred solution of Pd(PPh3)4 (29 mg, 0.025 mmol)in anhydrous THF (4 mL). Then, 0.6 mL of H2O and 1.5 mmol of thecorresponding boronic acid were added and the reaction mixturewas heated to 65 C until TLC showed complete consumption of thestarting material (1.5e20 h). After cooling to ambient temperature,the mixture was diluted with water (15 mL) and extracted severaltimes with EtOAc. The combined organic layers were dried overNa2SO4 and concentrated in vacuo to give a residue, which waspurified by flash chromatography.

Reference： [1]Kalt, Marc-Manuel; Schuehly, Wolfgang; Saf, Robert; Ochensberger, Sandra; Solnier, Julia; Bucar, Franz; Kaiser, Marcel; Presser, Armin [European Journal of Medicinal Chemistry, 2020, vol. 207]

22
[ 2750207-02-2 ]
[ 148355-75-3 ]
[ 2750207-03-3 ]

Yield	Reaction Conditions	Operation in experiment
84%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 150℃; for 0.5h; Inert atmosphere;	4.13. General Procedure D: Suzuki Reaction General procedure: A solution of the required bromide (1 equiv.) in DMF/water (1:1, c 0.1 M) under argonwas added sodium hydrogen carbonate (3 equiv.), the desired boronic acid or pinacol ester(1.3 equiv.) and Pd(dppf)Cl2 (0.05 equiv.), and the mixture was degassed with argon.The mixture was heated at 80-100 °C overnight or in the microwave at 150 °C for 30 min.Upon completion, the mixture was diluted with EtOAc, filtered through Celite and concentratedin vacuo. The crude product was purified by flash column chromatography toproduce the desired product.

Reference： [1]Bataille, Carole J. R.; Cogswell, Thomas J.; Davies, Stephen G.; Georgiou, Irene; Jackson, Thomas R.; Jay-Smith, Morgan; Josa-Culleré, Laia; Milne, Thomas A.; Russell, Angela J.; Vyas, Paresh; Wynne, Graham M. [Molecules, 2021, vol. 26, # 21]

23
[ 2750207-04-4 ]
[ 148355-75-3 ]
[ 2750207-05-5 ]

Yield	Reaction Conditions	Operation in experiment
91%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 150℃; for 0.5h; Inert atmosphere;	4.13. General Procedure D: Suzuki Reaction General procedure: A solution of the required bromide (1 equiv.) in DMF/water (1:1, c 0.1 M) under argonwas added sodium hydrogen carbonate (3 equiv.), the desired boronic acid or pinacol ester(1.3 equiv.) and Pd(dppf)Cl2 (0.05 equiv.), and the mixture was degassed with argon.The mixture was heated at 80-100 °C overnight or in the microwave at 150 °C for 30 min.Upon completion, the mixture was diluted with EtOAc, filtered through Celite and concentratedin vacuo. The crude product was purified by flash column chromatography toproduce the desired product.

Reference： [1]Bataille, Carole J. R.; Cogswell, Thomas J.; Davies, Stephen G.; Georgiou, Irene; Jackson, Thomas R.; Jay-Smith, Morgan; Josa-Culleré, Laia; Milne, Thomas A.; Russell, Angela J.; Vyas, Paresh; Wynne, Graham M. [Molecules, 2021, vol. 26, # 21]

24
[ 2750207-04-4 ]
[ 148355-75-3 ]
[ 2750207-41-9 ]

Yield	Reaction Conditions	Operation in experiment
98%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 150℃; for 0.5h; Inert atmosphere;	4.13. General Procedure D: Suzuki Reaction General procedure: A solution of the required bromide (1 equiv.) in DMF/water (1:1, c 0.1 M) under argonwas added sodium hydrogen carbonate (3 equiv.), the desired boronic acid or pinacol ester(1.3 equiv.) and Pd(dppf)Cl2 (0.05 equiv.), and the mixture was degassed with argon.The mixture was heated at 80-100 °C overnight or in the microwave at 150 °C for 30 min.Upon completion, the mixture was diluted with EtOAc, filtered through Celite and concentratedin vacuo. The crude product was purified by flash column chromatography toproduce the desired product.

Reference： [1]Bataille, Carole J. R.; Cogswell, Thomas J.; Davies, Stephen G.; Georgiou, Irene; Jackson, Thomas R.; Jay-Smith, Morgan; Josa-Culleré, Laia; Milne, Thomas A.; Russell, Angela J.; Vyas, Paresh; Wynne, Graham M. [Molecules, 2021, vol. 26, # 21]

25
[ 2750207-06-6 ]
[ 148355-75-3 ]
[ 2750207-07-7 ]

Yield	Reaction Conditions	Operation in experiment
62%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 150℃; for 0.5h; Inert atmosphere;	4.13. General Procedure D: Suzuki Reaction General procedure: A solution of the required bromide (1 equiv.) in DMF/water (1:1, c 0.1 M) under argonwas added sodium hydrogen carbonate (3 equiv.), the desired boronic acid or pinacol ester(1.3 equiv.) and Pd(dppf)Cl2 (0.05 equiv.), and the mixture was degassed with argon.The mixture was heated at 80-100 °C overnight or in the microwave at 150 °C for 30 min.Upon completion, the mixture was diluted with EtOAc, filtered through Celite and concentratedin vacuo. The crude product was purified by flash column chromatography toproduce the desired product.

Reference： [1]Bataille, Carole J. R.; Cogswell, Thomas J.; Davies, Stephen G.; Georgiou, Irene; Jackson, Thomas R.; Jay-Smith, Morgan; Josa-Culleré, Laia; Milne, Thomas A.; Russell, Angela J.; Vyas, Paresh; Wynne, Graham M. [Molecules, 2021, vol. 26, # 21]

26
[ 2750207-08-8 ]
[ 148355-75-3 ]
[ 2750207-09-9 ]

Yield	Reaction Conditions	Operation in experiment
78%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 150℃; for 0.5h; Inert atmosphere;	4.13. General Procedure D: Suzuki Reaction General procedure: A solution of the required bromide (1 equiv.) in DMF/water (1:1, c 0.1 M) under argonwas added sodium hydrogen carbonate (3 equiv.), the desired boronic acid or pinacol ester(1.3 equiv.) and Pd(dppf)Cl2 (0.05 equiv.), and the mixture was degassed with argon.The mixture was heated at 80-100 °C overnight or in the microwave at 150 °C for 30 min.Upon completion, the mixture was diluted with EtOAc, filtered through Celite and concentratedin vacuo. The crude product was purified by flash column chromatography toproduce the desired product.

Reference： [1]Bataille, Carole J. R.; Cogswell, Thomas J.; Davies, Stephen G.; Georgiou, Irene; Jackson, Thomas R.; Jay-Smith, Morgan; Josa-Culleré, Laia; Milne, Thomas A.; Russell, Angela J.; Vyas, Paresh; Wynne, Graham M. [Molecules, 2021, vol. 26, # 21]

27
[ 2750207-14-6 ]
[ 148355-75-3 ]
[ 2750207-15-7 ]

Yield	Reaction Conditions	Operation in experiment
75%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 150℃; for 0.5h; Inert atmosphere;	4.13. General Procedure D: Suzuki Reaction General procedure: A solution of the required bromide (1 equiv.) in DMF/water (1:1, c 0.1 M) under argonwas added sodium hydrogen carbonate (3 equiv.), the desired boronic acid or pinacol ester(1.3 equiv.) and Pd(dppf)Cl2 (0.05 equiv.), and the mixture was degassed with argon.The mixture was heated at 80-100 °C overnight or in the microwave at 150 °C for 30 min.Upon completion, the mixture was diluted with EtOAc, filtered through Celite and concentratedin vacuo. The crude product was purified by flash column chromatography toproduce the desired product.

Reference： [1]Bataille, Carole J. R.; Cogswell, Thomas J.; Davies, Stephen G.; Georgiou, Irene; Jackson, Thomas R.; Jay-Smith, Morgan; Josa-Culleré, Laia; Milne, Thomas A.; Russell, Angela J.; Vyas, Paresh; Wynne, Graham M. [Molecules, 2021, vol. 26, # 21]

28
[ 2750206-95-0 ]
[ 148355-75-3 ]
[ 2750206-96-1 ]

Yield	Reaction Conditions	Operation in experiment
84%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 150℃; for 0.5h; Inert atmosphere;	4.13. General Procedure D: Suzuki Reaction General procedure: A solution of the required bromide (1 equiv.) in DMF/water (1:1, c 0.1 M) under argonwas added sodium hydrogen carbonate (3 equiv.), the desired boronic acid or pinacol ester(1.3 equiv.) and Pd(dppf)Cl2 (0.05 equiv.), and the mixture was degassed with argon.The mixture was heated at 80-100 °C overnight or in the microwave at 150 °C for 30 min.Upon completion, the mixture was diluted with EtOAc, filtered through Celite and concentratedin vacuo. The crude product was purified by flash column chromatography toproduce the desired product.

Reference： [1]Bataille, Carole J. R.; Cogswell, Thomas J.; Davies, Stephen G.; Georgiou, Irene; Jackson, Thomas R.; Jay-Smith, Morgan; Josa-Culleré, Laia; Milne, Thomas A.; Russell, Angela J.; Vyas, Paresh; Wynne, Graham M. [Molecules, 2021, vol. 26, # 21]

29
[ 2750207-36-2 ]
[ 148355-75-3 ]
[ 2750207-37-3 ]

Yield	Reaction Conditions	Operation in experiment
76%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 150℃; for 0.5h; Inert atmosphere;	4.13. General Procedure D: Suzuki Reaction General procedure: A solution of the required bromide (1 equiv.) in DMF/water (1:1, c 0.1 M) under argonwas added sodium hydrogen carbonate (3 equiv.), the desired boronic acid or pinacol ester(1.3 equiv.) and Pd(dppf)Cl2 (0.05 equiv.), and the mixture was degassed with argon.The mixture was heated at 80-100 °C overnight or in the microwave at 150 °C for 30 min.Upon completion, the mixture was diluted with EtOAc, filtered through Celite and concentratedin vacuo. The crude product was purified by flash column chromatography toproduce the desired product.

Reference： [1]Bataille, Carole J. R.; Cogswell, Thomas J.; Davies, Stephen G.; Georgiou, Irene; Jackson, Thomas R.; Jay-Smith, Morgan; Josa-Culleré, Laia; Milne, Thomas A.; Russell, Angela J.; Vyas, Paresh; Wynne, Graham M. [Molecules, 2021, vol. 26, # 21]

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

CAS No. :	148355-75-3	MDL No. :	MFCD02179478
Formula :	C₇H₁₀BNO₄S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	XUIQQIRLFMCWLN-UHFFFAOYSA-N
M.W :	215.03	Pubchem ID :	2773535
Synonyms :

Num. heavy atoms :	14
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.14
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	3.0
Molar Refractivity :	54.54
TPSA :	95.01 Å²

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.76 cm/s

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.21
Log Po/w (WLOGP) :	-0.37
Log Po/w (MLOGP) :	-1.05
Log Po/w (SILICOS-IT) :	-2.16
Consensus Log Po/w :	-0.76

[ CAS No. 148355-75-3 ] {[proInfo.proName]}

Quality Control of [ 148355-75-3 ]

Related Doc. of [ 148355-75-3 ]

Product Details of [ 148355-75-3 ]

Calculated chemistry of [ 148355-75-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 148355-75-3 ]

Application In Synthesis of [ 148355-75-3 ]

[ 148355-75-3 ] Synthesis Path-Downstream 1~29

Related Functional Groups of
[ 148355-75-3 ]

Organoboron

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Log S (ESOL) :	-1.16
Solubility :	14.9 mg/ml ; 0.0692 mol/l
Class :	Very soluble
Log S (Ali) :	-1.33
Solubility :	10.1 mg/ml ; 0.0469 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.66
Solubility :	4.7 mg/ml ; 0.0219 mol/l
Class :	Soluble

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.25

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H319	Packing Group:	N/A
GHS Pictogram:

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed

[ CAS No. 148355-75-3 ] {[proInfo.proName]}

Quality Control of [ 148355-75-3 ]

Related Doc. of [ 148355-75-3 ]

Product Details of [ 148355-75-3 ]

Calculated chemistry of [ 148355-75-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 148355-75-3 ]

Application In Synthesis of [ 148355-75-3 ]

[ 148355-75-3 ] Synthesis Path-Downstream 1~29

Related Functional Groups of [ 148355-75-3 ]

Organoboron

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 148355-75-3 ]