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Chemical Structure| 148366-28-3 Chemical Structure| 148366-28-3

Structure of 148366-28-3

Chemical Structure| 148366-28-3

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Product Details of [ 148366-28-3 ]

CAS No. :148366-28-3
Formula : C10H10BrNO
M.W : 240.10
SMILES Code : OCCN1C=CC2=C1C=CC(Br)=C2
MDL No. :MFCD20486677
InChI Key :VQBGZOPEJRCONC-UHFFFAOYSA-N
Pubchem ID :10657650

Safety of [ 148366-28-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Computational Chemistry of [ 148366-28-3 ] Show Less

Physicochemical Properties

Num. heavy atoms 13
Num. arom. heavy atoms 9
Fraction Csp3 0.2
Num. rotatable bonds 2
Num. H-bond acceptors 1.0
Num. H-bond donors 1.0
Molar Refractivity 56.87
TPSA ?

Topological Polar Surface Area: Calculated from
Ertl P. et al. 2000 J. Med. Chem.

25.16 Ų

Lipophilicity

Log Po/w (iLOGP)?

iLOGP: in-house physics-based method implemented from
Daina A et al. 2014 J. Chem. Inf. Model.

2.32
Log Po/w (XLOGP3)?

XLOGP3: Atomistic and knowledge-based method calculated by
XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry

1.94
Log Po/w (WLOGP)?

WLOGP: Atomistic method implemented from
Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.

2.4
Log Po/w (MLOGP)?

MLOGP: Topological method implemented from
Moriguchi I. et al. 1992 Chem. Pharm. Bull.
Moriguchi I. et al. 1994 Chem. Pharm. Bull.
Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.

1.96
Log Po/w (SILICOS-IT)?

SILICOS-IT: Hybrid fragmental/topological method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

2.3
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

2.18

Water Solubility

Log S (ESOL):?

ESOL: Topological method implemented from
Delaney JS. 2004 J. Chem. Inf. Model.

-2.93
Solubility 0.281 mg/ml ; 0.00117 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Soluble
Log S (Ali)?

Ali: Topological method implemented from
Ali J. et al. 2012 J. Chem. Inf. Model.

-2.09
Solubility 1.94 mg/ml ; 0.00808 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Soluble
Log S (SILICOS-IT)?

SILICOS-IT: Fragmental method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

-3.55
Solubility 0.0675 mg/ml ; 0.000281 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Soluble

Pharmacokinetics

GI absorption?

Gatrointestinal absorption: according to the white of the BOILED-Egg

High
BBB permeant?

BBB permeation: according to the yolk of the BOILED-Egg

Yes
P-gp substrate?

P-glycoprotein substrate: SVM model built on 1033 molecules (training set)
and tested on 415 molecules (test set)
10-fold CV: ACC=0.72 / AUC=0.77
External: ACC=0.88 / AUC=0.94

No
CYP1A2 inhibitor?

Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.83 / AUC=0.90
External: ACC=0.84 / AUC=0.91

Yes
CYP2C19 inhibitor?

Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.80 / AUC=0.86
External: ACC=0.80 / AUC=0.87

No
CYP2C9 inhibitor?

Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set)
and tested on 2075 molecules (test set)
10-fold CV: ACC=0.78 / AUC=0.85
External: ACC=0.71 / AUC=0.81

No
CYP2D6 inhibitor?

Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set)
and tested on 1068 molecules (test set)
10-fold CV: ACC=0.79 / AUC=0.85
External: ACC=0.81 / AUC=0.87

No
CYP3A4 inhibitor?

Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set)
and tested on 2579 molecules (test set)
10-fold CV: ACC=0.77 / AUC=0.85
External: ACC=0.78 / AUC=0.86

No
Log Kp (skin permeation)?

Skin permeation: QSPR model implemented from
Potts RO and Guy RH. 1992 Pharm. Res.

-6.39 cm/s

Druglikeness

Lipinski?

Lipinski (Pfizer) filter: implemented from
Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev.
MW ≤ 500
MLOGP ≤ 4.15
N or O ≤ 10
NH or OH ≤ 5

0.0
Ghose?

Ghose filter: implemented from
Ghose AK. et al. 1999 J. Comb. Chem.
160 ≤ MW ≤ 480
-0.4 ≤ WLOGP ≤ 5.6
40 ≤ MR ≤ 130
20 ≤ atoms ≤ 70

None
Veber?

Veber (GSK) filter: implemented from
Veber DF. et al. 2002 J. Med. Chem.
Rotatable bonds ≤ 10
TPSA ≤ 140

0.0
Egan?

Egan (Pharmacia) filter: implemented from
Egan WJ. et al. 2000 J. Med. Chem.
WLOGP ≤ 5.88
TPSA ≤ 131.6

0.0
Muegge?

Muegge (Bayer) filter: implemented from
Muegge I. et al. 2001 J. Med. Chem.
200 ≤ MW ≤ 600
-2 ≤ XLOGP ≤ 5
TPSA ≤ 150
Num. rings ≤ 7
Num. carbon > 4
Num. heteroatoms > 1
Num. rotatable bonds ≤ 15
H-bond acc. ≤ 10
H-bond don. ≤ 5

0.0
Bioavailability Score?

Abbott Bioavailability Score: Probability of F > 10% in rat
implemented from
Martin YC. 2005 J. Med. Chem.

0.55

Medicinal Chemistry

PAINS?

Pan Assay Interference Structures: implemented from
Baell JB. & Holloway GA. 2010 J. Med. Chem.

0.0 alert
Brenk?

Structural Alert: implemented from
Brenk R. et al. 2008 ChemMedChem

0.0 alert: heavy_metal
Leadlikeness?

Leadlikeness: implemented from
Teague SJ. 1999 Angew. Chem. Int. Ed.
250 ≤ MW ≤ 350
XLOGP ≤ 3.5
Num. rotatable bonds ≤ 7

No; 1 violation:MW<1.0
Synthetic accessibility?

Synthetic accessibility score: from 1 (very easy) to 10 (very difficult)
based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties,
trained on 12'782'590 molecules and tested on 40 external molecules (r2 = 0.94)

1.5

Application In Synthesis of [ 148366-28-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 148366-28-3 ]

[ 148366-28-3 ] Synthesis Path-Downstream   1~31

  • 2
  • [ 18162-48-6 ]
  • [ 135635-46-0 ]
  • [ 148366-28-3 ]
  • C59H92N2O13Si [ No CAS ]
  • C75H115N3O14Si2 [ No CAS ]
  • 3
  • [ 135635-46-0 ]
  • [ 148366-28-3 ]
  • L-732,531 [ No CAS ]
  • C63H87N3O14 [ No CAS ]
  • 5
  • [ 726174-45-4 ]
  • [ 148366-28-3 ]
YieldReaction ConditionsOperation in experiment
51.66% With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20℃; for 2h;Inert atmosphere; To a stirred solution of LAH (0.67 g, 3.0 eq) dissolved in THE (10 mL) at 0CC, intermediate 28a (1.7 g, 6.0 mmol) in THE (10 mL) was added under argonatmosphere. The reaction mixture was stirred at room temperature for 2 h. The reaction mixture was diluted with water and extracted with ethyl acetate. The organic layer was washed with water and dried over anhydrous Na2SO4. The organic layer was concentrated under vacuo to yield title compound (0.75 g, 51 .66%) as a yellow gummy material.
  • 6
  • [ 148366-28-3 ]
  • [ 903499-37-6 ]
  • 7
  • [ 148366-28-3 ]
  • 5-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole [ No CAS ]
  • 8
  • [ 148366-28-3 ]
  • N,N-dimethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-1-yl]ethanamine [ No CAS ]
  • 9
  • [ 148366-28-3 ]
  • 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole [ No CAS ]
  • 11
  • [ 148366-28-3 ]
  • 5-bromo-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]-1<i>H</i>-indole [ No CAS ]
  • 12
  • [ 148366-28-3 ]
  • 2-[2-(5-bromo-indol-1-yl)-ethyl]-octahydro-pyrido[1,2-<i>a</i>]pyrazine [ No CAS ]
  • 13
  • [ 10075-50-0 ]
  • [ 116-11-0 ]
  • [ 540-51-2 ]
  • [ 148366-28-3 ]
YieldReaction ConditionsOperation in experiment
With NaH; phosphoric acid; In tetrahydrofuran; N,N-dimethyl-formamide; 1-(2-Hydroxyethyl)-5-bromoindole: Under a N2 atmosphere, 2-bromoethanol (17.6 g, 141 mmol) and 2-methoxypropene (10.1 g, 141 mmol) were stirred in 71 mL of THF at 0 C. for 30 minutes The resulting solution was added to a stirring mixture of 5-bromoindole (22.83 g, 116 mmol) and 60% NaH (4.62 g, 193 mmol) in 40 mL of DMF and 60 mL of THF. The solution was stirred at ambient temperature for 4 hours. The reaction mixture was worked up by quenching the excess of NaH with water and removing the aqueous layer. The organic layer was vigorously stirred with 200 mL of 2% aqueous phosphoric acid for 5 hours when the layers were separated. The organic layer was washed with water (2*200 mL) and the solvent removed. The residue was purified by column chromatography (30:70 EtOAc-Hex) to give 17 g of 1-(2-hydroxylethyl)-5-bromoindole. Tris[1-(2-t-Butyldimethylsilyloxyethyl)indol-5-yl]bismuthane:
With NaH; phosphoric acid; In tetrahydrofuran; N,N-dimethyl-formamide; 1-(2-Hydroxyethyl)-5-bromoindole: Under a N2 atmosphere, 2-bromoethanol (17.6 g, 141 mmol) and 2-methoxypropene (10.1 g, 141 mmol) were stirred in 71 mL of THF at 0 C. for 30 minutes The resulting solution was added to a stirring mixture of 5-bromoindole (22.83 g, 116 mmol) and 60% NaH (4.62 g, 193 mmol) in 40 mL of DMF and 60 mL of THF. The solution was stirred at ambient temperature for 4 hours. The reaction mixture was worked up by quenching the excess of NaH with water and removing the aqueous layer. The organic layer was vigorously stirred with 200 mL of 2% aqueous phosphoric acid for 5 hours when the layers were separated. The organic layer was washed with water (2*200 mL) and the solvent removed. The residue was purified by column chromatography (30:70 EtOAc-Hex) to give 17 g of 1-(2-hydroxylethyl)-5-bromoindole.
  • 14
  • [ 18162-48-6 ]
  • [ 148366-28-3 ]
  • 1-(2-t-Butyldimethylsilyloxyethyl)-5-bromoindole [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In dichloromethane; STEP 7B 1-(2-t-Butyldimethylsilyloxyethyl)-5-bromoindole A solution of 1(2-hydroxyethyl)-5-bromoindole (6 gm, 0.025 mol), t-butyldimethylsilyl chloride (4.5 gm, 0.03 mol) and triethylamine (4.2 ml, 0.03 mol) in CH2 Cl2 (60 ml) was stirred for 12 hours at room temperature. The reaction mixture was then washed twice with H2 O, dried over Na2 SO4, filtered and concentrated in vacuo to provide the title compound as a yellow oil. 1 H NMR was consistent with the desired structure.
With triethylamine; In dichloromethane; STEP 1B 1-(2-t-Butyldimethylsilyloxyethyl)-5-bromoindole A solution of 1(2-hydroxyethyl)-5-bromoindole (6 gm, 0.025 mol), t-butyldimethylsilyl chloride (4.5 gm, 0.03 mol) and triethylamine (4.2 ml, 0.03 mol) in CH2 Cl2 (60 ml) was stirred for 12 hours at room temperature. The reaction mixture was then washed twice with H2 O, dried over Na2 SO4, filtered and concentrated in vacuo to provide the title compound as a yellow oil. 1 H NMR was consistent with the desired structure.
With triethylamine; In dichloromethane; STEP 25B 1-(2-t-Butyldimethylsilyloxyethyl)-5-bromoindole A solution of 1(2-hydroxyethyl)-5-bromoindole (6 gm, 0.025 mol), t-butyldimethylsilyl chloride (4.5 gm, 0.03 mol) and triethylamine (4.2 ml, 0.03 mol) in CH2 Cl2 (60 ml) was stirred for 12 hours at room temperature. The reaction mixture was then washed twice with H2 O, dried over Na2 SO4, filtered and concentrated in vacuo to provide the title compound as a yellow oil. 1 H NMR was consistent with the desired structure.
With triethylamine; In dichloromethane; STEP 25B 1-(2-t-Butyldimethylsilyloxyethyl)-5-bromoindole A solution of 1(2-hydroxyethyl)-5-bromoindole (6 gm, 0.025 mol), t-butyldimethylsilyl chloride (4.5 gm, 0.03 mol) and triethylamine (4.2 ml, 0.03 mol) in CH2 Cl2 (60 ml) was stirred for 12 hours at room temperature. The reaction mixture was then washed twice with H2 O, dried over Na2 SO4, filtered and concentrated in vacuo to provide the title compound as a yellow oil. 1 H NMR was consistent with the desired structure.

  • 15
  • [ 75-21-8 ]
  • [ 10075-50-0 ]
  • [ 148366-28-3 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; In dimethyl sulfoxide; STEP 7A 1-(2-Hydroxyethyl)-5-bromoindole A mixture of NaOH (4.4 gm, 0.011 mol) in DMSO (175 ml) was stirred at 100 C. for 5 hours at which time it was cooled to 20 C. To this mixture was added 5-bromoindole (20 gm, 0.102 mol) and the reaction was stirred for 8 hours at room temperature. A solution of ethylene oxide (5.1 gm, 0.125 mol) in DMSO (20 ml) was prepared by bubbling the gas into DMSO. To the bromoindole reaction mixture was slowly added the ethylene oxide solution and stirring was continued for another 2.5 hours. The reaction mixture was then poured into ice water and extracted twice with diethyl ether. The combined ether extracts were concentrated in vacuo whereupon crystallization took place. The crude product was recrystallized from diethyl ether:hexanes (3:2) to afford the title compound (6.25 gm).
With sodium hydroxide; In dimethyl sulfoxide; STEP 1A 1-(2-Hydroxyethyl)-5-bromoindole A mixture of NaOH (4.4 gm, 0.011 tool) in DMSO (175 ml) was stirred at 100 C. for 5 hours at which time it was cooled to 20 C. To this mixture was added 5-bromoindole (20 gm, 0.102 mol) and the reaction was stirred for 8 hours at room temperature. A solution of ethylene oxide (5.1 gm, 0.125 mol) in DMSO (20 ml) was prepared by bubbling the gas into DMSO. To the bromoindole reaction mixture was slowly added the ethylene oxide solution and stirring was continued for another 2.5 hours. The reaction mixture was then poured into ice water and extracted twice with diethyl ether. The combined ether extracts were concentrated in vacuo whereupon crystallization took place. The crude product was recrystallized from diethyl ether:hexanes (3:2) to afford the title compound (6.25 gm).
With sodium hydroxide; In dimethyl sulfoxide; STEP 25A 1-(2-Hydroxyethyl)-5-bromoindole A mixture of NaOH (4.4 gm, 0.011 mol) in DMSO (175 ml) was stirred at 100 C. for 5 hours at which time it was cooled to 20 C. To this mixture was added 5-bromoindole (20 gm, 0.102 mol) and the reaction was stirred for 8 hours at room temperature. A solution of ethylene oxide (5.1 gm, 0.125 mol) in DMSO (20 ml) was prepared by bubbling the gas into DMSO. To the bromoindole reaction mixture was slowly added the ethylene oxide solution and stirring was continued for another 2.5 hours. The reaction mixture was then poured into ice water and extracted twice with diethyl ether. The combined ether extracts were concentrated in vacuo whereupon crystallization took place. The crude product was recrystallized from diethyl ether:hexanes (3:2) to afford the title compound (6.25 gm).
With sodium hydroxide; In dimethyl sulfoxide; STEP 25A 1-(2-Hydroxyethyl)-5-bromoindole A mixture of NaOH (4.4 gm, 0.011 mol) in DMSO (175 ml) was stirred at 100 C. for 5 hours at which time it was cooled to 20 C. To this mixture was added 5-bromoindole (20 gm, 0.102 mol) and the reaction was stirred for 8 hours at room temperature. A solution of ethylene oxide (5.1 gm, 0.125 mol) in DMSO (20 ml) was prepared by bubbling the gas into DMSO. To the bromoindole reaction mixture was slowly added the ethylene oxide solution and stirring was continued for another 2.5 hours. The reaction mixture was then poured into ice water and extracted twice with diethyl ether. The combined ether extracts were concentrated in vacuo whereupon crystallization took place. The crude product was recrystallized from diethyl ether:hexanes (3:2) to afford the title compound (6.25 gm).

  • 16
  • [ 1094351-56-0 ]
  • [ 148366-28-3 ]
YieldReaction ConditionsOperation in experiment
With diisobutylaluminium hydride; In tetrahydrofuran; hexane; at 0 - 20℃; Step B 2-(5-bromo-1H-indol-1-yl)ethanol. DIBAL-H (1 M in hexanes) (6.1 mL, 6.1 mmol) was added to a 0 C. solution of methyl (5-bromo-1H-indol-1-yl)acetate (660 mg, 2.46 mmol) in anhydrous THF (12 mL). The reaction was warmed to ambient temperature and maintained for 1 h. The reaction mixture was poured into saturated aqueous Rochelle's salt (25 mL) and Et2O (25 mL). The mixture was stirred vigorously for 30 min. The layers were separated and the aqueous phase was extracted with Et2O. The combined organic layers were washed with brine, dried (Na2SO4), filtered, and concentrated to afford the desired product as a yellow oil.
  • 17
  • [ 1219741-42-0 ]
  • [ 148366-28-3 ]
  • methyl 5-[(6-chloro-5-[1-(2-hydroxyethyl)-1H-indol-5-yl]-1-[2-(trimethylsilyl)ethoxy]methyl}-1H-benzimidazol-2-yl)oxy]-2-methylbenzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; N,N-dimethyl-formamide;tetrakis(triphenylphosphine) palladium(0); In water; at 150℃; for 0.133333h;Microwave irradiation; Step C Methyl 5-[(6-chloro-5-[1-(2-hydroxyethyl)-1H-indol-5-yl]-1-[2-(trimethylsilyl)ethoxy]methyl}-1H-benzimidazol-2-yl)oxy]-2-methylbenzoate. A microwave vial was charged with Intermediate 13 (170 mg, 0.297 mmol), <strong>[148366-28-3]2-(5-bromo-1H-indol-1-yl)ethanol</strong> (100 mg, 0.415 mmol), Pd(PPh3)4 (51 mg, 0.045 mmol), DMF (4.3 mL), and K2CO3 (1 M in water) (0.89 mL). The reaction was heated at 150 C. under microwave irradiation for 8 min. The reaction was partitioned between water and EtOAc. The aqueous phase was extracted with EtOAc. The combined organics were washed with brine, dried (Na2SO4), filtered and concentrated. Chromatography over silica eluting with 50% EtOAc/hexanes afforded the desired product as a viscous, yellow oil.
  • 18
  • [ 148366-28-3 ]
  • C20H16Br2F2N2O2 [ No CAS ]
  • 19
  • [ 148366-28-3 ]
  • C20H16Br2F2N2O2 [ No CAS ]
  • C10H8BrF2NO [ No CAS ]
  • C11H12BrF2NO2 [ No CAS ]
  • C20H17Br2FN2O2 [ No CAS ]
  • 20
  • [ 10075-50-0 ]
  • [ 107-07-3 ]
  • [ 148366-28-3 ]
  • 24
  • [ 55022-46-3 ]
  • [ 148366-28-3 ]
  • C20H19BrN2O2S [ No CAS ]
  • 25
  • 5-bromo-6-chloro-1,3-dihydro-2H-indol-2-one [ No CAS ]
  • [ 148366-28-3 ]
  • 6'-chloro-1-(2-hydroxyethyl)-1',3'-dihydro-1H,2'H-5,5'-biindol-2'-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
15.20% With tetrakis(triphenylphosphine) palladium(0); In 1,4-dioxane; water; N,N-dimethyl-formamide; for 0.666667h;Inert atmosphere; Microwave irradiation; Potassium phosphate (0.64 g, 3.0 eq) was added to a solution of intermediate 3 (0.25g, 1.0 mmol) and intermediate 28 (0.35 g, 1.2 mmol) in a mixture of 1,4-dioxane (4mL), DMF (4 mL) and water (1 mL). After degasified with nitrogen, Pd(PPh3)4 (0.058 g, 0.05 mmol) was added and irradiated under microwave for 40 mm. The reaction mixture was diluted with water and extracted with ethyl acetate. The organic layer was washed with water and dried over anhydrous Na2SO4. The organic layer wasconcentrated under vacuo. The crude product was purified to yield the title compound(0.05 g, 15.20%) as a colourless oily. LCMS: (M+H) = 327.0 ; 1H NMR: (DMSO-d6,300MHz) 6 10.52 (5, 1H), 7.50-7.52 (d, 2H), 7.39-7.40 (d, 1H), 7.24 (5, 1H), 7.10-7.13 (d, 1H), 6.92 (5, 1H), 6.44-6.45 (d, 1H), 4.89-4.92 (t, 1H), 4.22-4.26 (t, 2H),3.71 -3.76 (m, 2H).
YieldReaction ConditionsOperation in experiment
98% General procedure: A solution of 5-bromo-lH-indazole (10 g; commercial) in DMF (330 mL) was cooled to 0C and treated portion wise with NaH (in 60% mineral oil; 2.41 g). The reaction mixture was allowed to reach rt, further stirred at rt for 1 h, treated with ethylene carbonate (17.9 g) and heated for 3 h at 80C. The reaction mixture was concentrated under reduced pressure, diluted with 10% aq. NaHS04 solution (150 mL) and extracted with EA (2 x 50 mL). The combined org. layers were washed with brine, dried over Na2S04, concentrated under reduced pressure and purified by CC (Hept-EA) to afford the title compound, contaminated with ethylene carbonate, as a yellow oil (10.71 g). XH NMR (d6-DMSO) delta: 8.02 (s, 1H); 7.96 (d, J = 1.5 Hz, 1H); 7.63 (dd, J = 1.8, 8.9 Hz, 1H); 7.46 (dd, J = 1.8, 8.9 Hz, 1H); 4.82 (t, J = 5.4 Hz, 1H); 4.41 (t, J = 5.5 Hz, 2H); 3.77 (q, J = 5.4 Hz, 2H). MS (ESI, m/z): 243.0 [M+H+] for C9H9N2OBr; tR = 0.68 min.
  • 27
  • [ 148366-28-3 ]
  • 7-bromo-2,3-dihydrooxazolo[3,2-a]indol-9(9aH)-one [ No CAS ]
  • 28
  • [ 148366-28-3 ]
  • C17H17BrN2O2S [ No CAS ]
  • 29
  • [ 148366-28-3 ]
  • 9-bromo-2-butyl-4-tosyl-2a,2a1,3,5,6,10b-hexahydro-4H-4,6a-diazabenzo[a]cyclopenta[cd]azulene [ No CAS ]
  • 9-bromo-2-butyl-4-tosyl-2a,2a1,3,5,6,10b-hexahydro-4H-4,6a-diazabenzo[a]cyclopenta[cd]azulene [ No CAS ]
  • 30
  • [ 148366-28-3 ]
  • N-(2-(5-bromo-1H-indol-1-yl)ethyl)-N-((2-butylcycloprop-2-en-1-yl)methyl)-4-methylbenzenesulfonamide [ No CAS ]
  • 31
  • [ 18303-04-3 ]
  • [ 148366-28-3 ]
  • C22H25BrN2O4S [ No CAS ]
 

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Technical Information

Categories

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[ 148366-28-3 ]

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