1H-Indole-6-carboxylic acid, 4-bromo-, methyl ester

Base Information

• Chemical Name: 1H-Indole-6-carboxylic acid, 4-bromo-, methyl ester
• CAS No.: 882679-96-1
• Molecular Formula: C10H8BrNO2
• Molecular Weight: 254.083
• Hs Code.: 2933990090
• Mol file: 882679-96-1.mol

Synonyms:4-Bromo indole-6-carboxylic acid methyl ester;METHYL 4-BROMO-6-INDOLECARBOXYLATE;4-Bromo-6-indolecarboxylic acid methyl ester;4-bromo-1H-indole-6-carboxylic acid methyl ester;

Chemical Property of 1H-Indole-6-carboxylic acid, 4-bromo-, methyl ester

Chemical Property:

• Vapor Pressure: 4.68E-06mmHg at 25°C
• Boiling Point: 382.6oC at 760 mmHg
• PKA: 14.87±0.30(Predicted)
• Flash Point: 185.2oC
• PSA: 42.09000
• Density: 1.629g/cm3
• LogP: 2.71700
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

Methyl 4-bromo-1H-indole-6-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Indole-6-carboxylic acid, 4-bromo-, methyl ester

There total 2 articles about 1H-Indole-6-carboxylic acid, 4-bromo-, methyl ester 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: 67.0%

(E)-methyl 3-bromo-4-(2-(dimethylamino)vinyl)-5-nitrobenzoate → methyl 4-bromo-1H-indole-6-carboxylate (882679-96-1)

Guidance literature:

With iron; acetic acid; at 50 - 90 ℃; for 2h;

Reference yield:

methyl 3-bromo-4-methyl-5-nitrobenzoate (223519-08-2) → methyl 4-bromo-1H-indole-6-carboxylate (882679-96-1)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 3 h / 120 °C

2: acetic acid; iron / 2 h / 50 - 90 °C

With iron; acetic acid; In N,N-dimethyl-formamide;

Reference yield: 23.0%

methyl 4-bromo-1H-indole-6-carboxylate (882679-96-1) → methyl 4-bromo-1-phenyl-1H-indole-6-carboxylate

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 140 ℃; for 1h; Microwave irradiation;

upstream raw materials:

methyl 3-bromo-4-methyl-5-nitrobenzoate

Downstream raw materials:

4-bromo-1H-indole-6-carboxylic acid

methyl 3-bromo-4-methyl-5-nitrobenzoate

methyl 3-amino-5-bromo-4-methylbenzoate

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