methyl 6-bromo-1H-indole-4-carboxylate

Base Information

Chemical Name:methyl 6-bromo-1H-indole-4-carboxylate
CAS No.:107650-22-6
Molecular Formula:C₁₀H₈BrNO₂
Molecular Weight:254.083
Hs Code.:2933990090
European Community (EC) Number:874-458-2
DSSTox Substance ID:DTXSID70548949
Wikidata:Q72488579
Mol file:107650-22-6.mol

Synonyms:107650-22-6;methyl 6-bromo-1H-indole-4-carboxylate;Methyl 6-Bromoindole-4-carboxylate;6-Bromo-4-indolecarboxylic acid methyl ester;METHYL 6-BROMO-4-INDOLECARBOXYLATE;6-bromo-1H-indole-4-carboxylic acid methyl ester;6-Bromo-4-indolecarboxylicacidmethylester;1H-Indole-4-carboxylic acid, 6-bromo-, methyl ester;MFCD07357290;SCHEMBL1868464;DTXSID70548949;KPFSQBKJYHWFME-UHFFFAOYSA-N;BCP21019;CS-B0795;AKOS015898429;AC-7157;AM81125;PB34197;AS-19487;SY004361;EN300-132743;A801737;J-001993;J-518399;Z1269217415

Suppliers and Price of methyl 6-bromo-1H-indole-4-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Methyl 6-Bromoindole-4-carboxylate
500mg
$ 389.00

TRC
Methyl6-Bromoindole-4-carboxylate
5 g
$ 550.00

SynQuest Laboratories
Methyl 6-bromo-1H-indole-4-carboxylate
1 g
$ 45.00

SynQuest Laboratories
Methyl 6-bromo-1H-indole-4-carboxylate
5 g
$ 75.00

SynQuest Laboratories
Methyl 6-bromo-1H-indole-4-carboxylate
25 g
$ 250.00

SynChem
6-Bromo-4-indolecarboxylic acid methyl ester 95%
1 g
$ 180.00

Oakwood
Methyl6-bromo-4-indolecarboxylate 95+%
1g
$ 14.00

Medical Isotopes, Inc.
Methyl6-bromo-4-indolecarboxylate 95+%
5 g
$ 640.00

Medical Isotopes, Inc.
Methyl6-bromo-4-indolecarboxylate 95+%
10 g
$ 740.00

Matrix Scientific
Methyl 6-bromo-4-indolecarboxylate 95+%
1g
$ 32.00

Total 69 raw suppliers

Chemical Property of methyl 6-bromo-1H-indole-4-carboxylate

Chemical Property:

Vapor Pressure:4.68E-06mmHg at 25°C
Refractive Index:1.666
Boiling Point:382.6 °C at 760 mmHg
PKA:14.87±0.30(Predicted)
Flash Point:185.2 °C
PSA：42.09000
Density:1.629 g/cm³
LogP:2.71700
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:252.97384
Heavy Atom Count:14
Complexity:234

Purity/Quality:

99%, ^*data from raw suppliers

Methyl 6-Bromoindole-4-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=C2C=CNC2=CC(=C1)Br
Uses Methyl 6-Bromoindole-4-carboxylate is a reactant used in the synthesis of potent, selective chymase inhibitors.

Technology Process of methyl 6-bromo-1H-indole-4-carboxylate

There total 7 articles about methyl 6-bromo-1H-indole-4-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

: 220514-28-3
5-bromo-2-methyl-3-nitrobenzoic acid methyl ester

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: 107650-22-6
methyl 6-bromo-1-isopropyl-3-methyl-1H-indole-4-carboxylate

Guidance literature:: 5-bromo-2-methyl-3-nitrobenzoic acid methyl ester; N,N-dimethyl-formamide dimethyl acetal; In N,N-dimethyl-formamide; at 100 ℃; for 12h;

With iron; In acetic acid; at 80 ℃; for 4h;

Reference yield: 59.0%

: 107650-20-4
5-bromo-2-methyl-3-nitro-benzoic acid

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: 107650-22-6
methyl 6-bromo-1-isopropyl-3-methyl-1H-indole-4-carboxylate

Guidance literature:: 5-bromo-2-methyl-3-nitro-benzoic acid; N,N-dimethyl-formamide dimethyl acetal; In N,N-dimethyl-formamide; at 115 ℃; for 18h;

With iron; acetic acid; at 50 - 90 ℃; for 4h;

With sodium hydrogencarbonate; In diethyl ether; water;