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[ CAS No. 148893-10-1 ]

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Chemical Structure| 148893-10-1
Chemical Structure| 148893-10-1
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Product Details of [ 148893-10-1 ]

CAS No. :148893-10-1 MDL No. :MFCD00274639
Formula : C10H15F6N6OP Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :380.23 g/mol Pubchem ID :9886157
Synonyms :

Safety of [ 148893-10-1 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P210-P264-P271-P240-P261-P280-P305+P351+P338-P302+P352-P304+P340-P312-P362-P370+P378-P403+P233-P501 UN#:1325
Hazard Statements:H228-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 148893-10-1 ]

  • Downstream synthetic route of [ 148893-10-1 ]

[ 148893-10-1 ] Synthesis Path-Downstream   1~24

  • 1
  • [ 302964-23-4 ]
  • [ 148893-10-1 ]
  • mixed anhydride intermediate [ No CAS ]
YieldReaction ConditionsOperation in experiment
74% With N-ethyl-N,N-diisopropylamine; In DMF (N,N-dimethyl-formamide); at 60℃; for 2h; A suspension solution of 2-[[(Butylamino)carbonyl]amino]-4-methyl-5-thiazole carboxylic acid (100 mg, 0.36 mmol), and <strong>[148893-10-1]HATU</strong> (170 mg, 0.44 mmol) in DMF (3 mL) was treated with diisopropylethyl amine (62 mL, 0.44 mmol). The mixture was heated to 60 C. for 2 h, cooled, diluted with dichloromethane (12 mL), washed with 8M aq. Urea solution in 2 N aq. HCl (6 mL, 3×), 5% aq. KHCO3 solution (6 mL, 3×), dried (Na2SO4), filtered and concentrated. The residue was triturated with EtOAc-ether to obtain the mixed anhydride intermediate (102 mg, 74%) as a white solid. A 1 M solution of sodium bis(trimethylsilylamide) in THF (170,L, 0.17 mmol) was added dropwise to a stirred solution of 2,6-dichloroaniline (19.4 mg, 0.12 mmol) in THF (1 mL). After 15 min, the mixed anhydride intermediate (41.3 mg, 0.11 mmol) was added in one portion. A few drops of DMF was added and the solution was stirred for 16 h. Additional 1 M solution of sodium bis(trimethylsilylamide) (110,L) was added and the mixture was stirred for additional 2 h. The mixture was diluted with dichloromethane (4 mL) and washed with 2 N aq. HCl solution (2 mL, 3×), satd. Aq. KHCO3 solution (3×), dried (Na2SO4), filtered and concentrated. The solid was washed with hexanes (2×) and the residue was chromatographed on a silica gel column. Elution with 80% EtOAc in hexanes followed by EtOAc afforded 307 (12 mg, 27%) as a light tan solid. [0389] ?HPLC Ret Time? is the HPLC retention time under the following conditions: YMC S5 ODS 4.6×50 mm Ballastic Column, 4 min gradient starting from 100% solvent A (10% MeOH, 90% H120, 0.2% H3PO4) to 100% solvent B (90% MeOH, 10% H2O, 0.2% H3PO4), flow rate 4 mL/min, lambda=220 nM.
  • 2
  • (6S,8R)-N-{(1R)-1-[(3AS,4S,6S 7AR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-ylpropyl]-8-amino-8-methyl-4-oxo-3-[3-(trifluoromethyl)benzyl]amino}-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide [ No CAS ]
  • [ 132-60-5 ]
  • [ 148893-10-1 ]
  • [ 437758-43-5 ]
YieldReaction ConditionsOperation in experiment
5.6 mg (32%) With triethanolamine; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; acetonitrile; Example 15 N-((6S,8R)-6-[({(1R)-1-[(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]propyl}amino)carbonyl]-8-methyl-4-oxo-3-[3-(trifluoromethyl)benzyl]amino}-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-2-phenyl-4-quinolinecarboxamide To a solution of 13a (10.0 mg, 0.0166 mmol) and 2-phenyl-4-quinolinecarboxylic acid (4.6 mg, 0.018 mmol) in 1:1 THF/CH2Cl2 (1 mL) and 200 muL DMF, was added TEA (2.8 muL, 0.020 mmol) and HAtU (7.6 mg, 0.020 mmol). The mixture was stirred at rt for 2 h, then was diluted with EtOAc. The organic phase was washed with H2O, NaHCO3, and brine, dried (Na2SO4), and concentrated. The crude product was purified by flash chromatography (55% EtOAc/hexanes), followed by preparative HPLC (gradient, 50 to 100% CH3CN/H2O+0.1% TFA) to afford 5.6 mg (32%) of Example 15 as the diTFA salt. MS (ESI) 833.6 (M+H+) 855.6 (M+Na+); 831.6 (M-H+); MS (HR-ESI) calculated for C46H49BF3N6O5 (M+H+), found 833.3828.
YieldReaction ConditionsOperation in experiment
The resulting residue treated with 2-Methoxycarbonylamino-3-methyl-butyric acid (60 mg, 0.343 mmol) and HATU (130 mg, 0.343 mmol), suspended in DMF (3 mL) and cooled to 0 C. DIPEA (0.272 mL, 1.56 mmol) was added dropwise. After stirring for 4 h, NaOH (5M in H2O, 0.300 mL, 1.5 mmol) was added. This mixture was stirred for 3 h then diluted with EtOAc and washed with 1 M LiOH (2*) then brine. The organic phase was dried over MgSO4, filtered and concentrated. The crude residue was then purified by HPLC to afford the title compound (53 mg, 44%). MS (ESI) m/z 773 [M+H]+.
  • 4
  • [ 201740-78-5 ]
  • [ 148893-10-1 ]
  • C12(13)CH17N5O4 [ No CAS ]
  • 5
  • [ 148893-10-1 ]
  • [ 100-51-6 ]
  • [ 1420476-91-0 ]
  • 6
  • [ 148893-10-1 ]
  • [ 71-36-3 ]
  • [ 1420476-92-1 ]
  • 7
  • [ 619-73-8 ]
  • [ 148893-10-1 ]
  • [ 353262-26-7 ]
  • 8
  • [ 1382486-58-9 ]
  • [ 148893-10-1 ]
  • [ 1382486-65-8 ]
YieldReaction ConditionsOperation in experiment
2.3 g With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃; for 0.5h; Method 65 Synthesis of 5-[1-(4-bromophenyl)-1,2-dimethyl-propyl]-3-(3-pyridyl)-1,2,4-oxadiazole (Intermediate 100) To a solution of I-52 (2.0 g, 7.37 mmol) in DMF (50 mL) is added <strong>[148893-10-1]HATU</strong> (4.18 g, 11.0 mmol) followed by DIEA (3.36 g, 26.0 mmol) and the solution is stirred at room temperature for 30 minutes. The reaction mixture is diluted with EtOAc, washed with water, and dried over anhydrous MgSO4, filtered and concentrated in vacuo. The residue is purified by flash chromatography (SiO2, 0-50% EtOAc/hexanes) to give I-101 (2.3 g). To a solution of I-101 (26.0 mg, 0.067 mmol) in THF (1 mL) is added I-99.1 (12.3 mg, 0.090 mmol) and PS-BEMP (55.0 mg, 0.110 mmol) and heated in the microwave at 120 C. for 30 min. The mixture is filtered, concentrated in vacuo, and purified by flash chromatography (SiO2, EtOAc/hexanes) to give I-102 (18 mg).
  • 9
  • [ 55-22-1 ]
  • C126H81Fe2N15(4+)*4C2F6NO4S2(1-) [ No CAS ]
  • [ 148893-10-1 ]
  • C144H90Fe2N18O3(4+)*4F6P(1-) [ No CAS ]
  • 10
  • C90H72Fe2N18(4+)*4CF3O3S(1-) [ No CAS ]
  • [ 65-85-0 ]
  • [ 148893-10-1 ]
  • C108H81Fe2N21O3(4+)*4F6P(1-) [ No CAS ]
  • 11
  • [ 59-67-6 ]
  • C90H72Fe2N18(4+)*4CF3O3S(1-) [ No CAS ]
  • [ 148893-10-1 ]
  • C108H81Fe2N21O3(4+)*4F6P(1-) [ No CAS ]
  • 12
  • [ 55-22-1 ]
  • C90H72Fe2N18(4+)*4CF3O3S(1-) [ No CAS ]
  • [ 148893-10-1 ]
  • C108H81Fe2N21O3(4+)*4F6P(1-) [ No CAS ]
  • 13
  • [ 55-22-1 ]
  • C108H81Fe2N15(4+)*4C2F6NO4S2(1-) [ No CAS ]
  • [ 148893-10-1 ]
  • C126H90Fe2N18O3(4+)*4F6P(1-) [ No CAS ]
  • 14
  • [ 828-51-3 ]
  • C90H72Fe2N18(4+)*4CF3O3S(1-) [ No CAS ]
  • [ 148893-10-1 ]
  • C123H114Fe2N18O3(4+)*4F6P(1-) [ No CAS ]
  • 15
  • C90H72Fe2N18(4+)*4CF3O3S(1-) [ No CAS ]
  • [ 4942-47-6 ]
  • [ 148893-10-1 ]
  • C126H120Fe2N18O3(4+)*4F6P(1-) [ No CAS ]
  • 16
  • 4-chloro-2-cyclopropyl-1-[(4-fluorophenyl)sulfonyl]-1,2,2’,3’,5’,6’-hexahydrospiro[indole-3,4’-thiopyran]-5-carboxylic acid 1‘,1‘-dioxide [ No CAS ]
  • [ 148893-10-1 ]
  • 4-chloro-2-cyclopropyl-1-[(4-fluorophenyl)sulfonyl]-5-[(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)carbonyl]-1,2,2’,3’,5’,6’-hexahydrospiro[indole-3,4’-thiopyran]-1‘,1‘-dioxide [ No CAS ]
YieldReaction ConditionsOperation in experiment
91% With triethylamine; In N,N-dimethyl-formamide; at 20℃; The carboxylic acid 8 is dissolved in DMF (5 mL/mmol), 1.5 eq. of <strong>[148893-10-1]HATU</strong> and 1.5 eq. of triethylamine are added. The reaction mixture is stirred at rt until TLC and/or LCMS indicate complete consumption of the starting material (ca 16 h) and then poured into water (100- 150 mL). The formed precipitate is filtered off, washed with water and taken up with toluene.The organic phase is dried in vacuo to give the HOAt ester.The HOAt ester and 1 .5 eq. of the corresponding amine component are stirred in acetonitrileor N-methyl-2-pyrrolidone (9-12 mL/mmol) at 50 C until TLC and/or LCMS indicate complete consumption of the HOAt ester (7-96 h). It might be necessary to add an additional amountof the amine component (0.6-2 eq.) to drive the reaction to completion. The reaction mixture is poured into water, the formed precipitate is filtered off and taken up with methylene chloride. The organic phase is washed with water, dried with magnesium sulfate and the solvent removed in vacuo. The crude product is purified by preparative HPLC. According to GP 8.2 intermediate F.1 (600 mg, 1.17 mmol) was reacted with 666 mg(1 .75 mmol, 1.5 eq.) <strong>[148893-10-1]HATU</strong> in the presence of 244 muL (1 .75 mmol, 1.5 eq.) triethylamine in5.5 mL DMF at rt overnight to yield 670 mg (91%) of the desired HOAt ester which was takento the next steps without further purification. UPLC-MS (ESI+): [M + H]+ = 632 / 634 (Cl isotope pattern).
  • 17
  • 2-cyclopropyl-1-[(4-fluorophenyl)sulfonyl]-1,2,2',3',5',6'-hexahydrospiro[indole-3,4'-thiopyran]-5-carboxylic acid [ No CAS ]
  • [ 148893-10-1 ]
  • 2-cyclopropyl-1-[(4-fluorophenyl)sulfonyl]-5-[(3H-[1 ,2,3]triazolo[4,5-b]pyridin-3-yloxy)carbonyl]-1,2,2',3',5',6'-hexahydrospiro[indole-3,4'-thiopyran] [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In N,N-dimethyl-formamide; at 20℃; for 48h; A solution of the crude carboxylic acid H.3 (2.69 g, 4.51 mmol) in 45 mL DMF was treated with <strong>[148893-10-1]HATU</strong> (1 .5 eq., 2.6 g, 6.8 mmol) and triethylamine (1 .5 eq., 0.94 mL, 6.8 mmol) and stirred at rt for 2 days. The reaction mixture was poured into 250 mL water, the precipitated material filtered off and rinsed with water. The obtained residue was taken up withdichloromethane, washed with water, dried with magnesium sulfate and concentrated in vacuo. The crude active ester (3.0 g, 73%) was used without further purification. UPLC-MS (ESI+): [M + H]+= 566; Rt = 1.43 min.
  • 18
  • [ 109-99-9 ]
  • [Rh(PNGABA-OHP)2](OTf)*H2O [ No CAS ]
  • [ 7732-18-5 ]
  • [ 538-41-0 ]
  • [ 148893-10-1 ]
  • Rh-GABA-Azb*4THF*3H2O [ No CAS ]
  • 19
  • [Rh(PNglycineP)2]+ [ No CAS ]
  • [ 538-41-0 ]
  • [ 148893-10-1 ]
  • [Rh(PNGly-OHP)2](PF6) [ No CAS ]
  • 20
  • [Rh(PNβ-Ala-OHP)2](OTf) [ No CAS ]
  • [ 538-41-0 ]
  • [ 148893-10-1 ]
  • Rh-β-Ala-Azb [ No CAS ]
  • 21
  • [Rh(PNβ-Ala-OHP)2](OTf) [ No CAS ]
  • [ 538-41-0 ]
  • [ 148893-10-1 ]
  • Rh-β-Ala-Azb [ No CAS ]
  • 22
  • [Rh(PNGABA-OHP)2](OTf)*H2O [ No CAS ]
  • [ 538-41-0 ]
  • [ 148893-10-1 ]
  • Rh-GABA-Azb [ No CAS ]
  • 23
  • [ 4593-90-2 ]
  • [ 148893-10-1 ]
  • 3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl 3-phenylbutanoate [ No CAS ]
  • 24
  • N-(4-((S)-2-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-2-amino-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanamido)-3-phenylpropanamido)benzyl)-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamide hydrochloride [ No CAS ]
  • [ 148893-10-1 ]
  • N-(4-((R)-2-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-2-((bis(dimethylamino)methylene)amino)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanamido)-3-phenylpropanamido)benzyl)-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃; for 0.166667h; Synthetic procedure for example C-terminal linked compounds of Formula (I) Example 59: Synthesis of N-(4-((R)-2-((2R,3R)-3-((S)-1 -((3R,4S,5S)-4-((S)-2- ((bis(dimethylamino)methylene)amino)-N,3-dimethylbutanamido)-3-methoxy-5- methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanamido)-3- phenylpropanamido)benzyl)-6-(2,5-dioxo-2,5-dihydro-1 H-pyrrol-1 -yl)hexanamide (CL-1)Step 4DIEA (1.7 mg, 0.013 mmol) and <strong>[148893-10-1]HATU</strong> (3.4 mg, 0.0089 mmol) were added to N- (4-((S)-2-((2R,3R)-3-((S)-1 -((3R,4S,5S)-4-((S)-2-amino-N,3-dimethylbutanamido)-3- methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanamido)-3- phenylpropanamido)benzyl)-6-(2,5-dioxo-2,5-dihydro-1 H-pyrrol-1 -yl)hexanamide HCl salt (4.6 mg, 0.0045 mmol) in DMF. The reaction was stirred at rt for 1 0 min. The crude material was purified by preparative HPLC using a 20-50% gradient to obtain N-(4-((R)-2- ((2R,3R)-3-((S)-1 -((3R,4S,5S)-4-((S)-2-((bis(dimethylamino)methylene)amino)-N,3- dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2- methylpropanamido)-3-phenylpropanamido)benzyl)-6-(2,5-dioxo-2,5-dihydro-1 H-pyrrol-1 - yl)hexanamide (CL-1). MS m/z 101 4.5 (M+1 ). Retention time 1.108 min.
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