6-Fluoro-1H-indole-4-carboxylic acid methyl ester

Base Information

• Chemical Name: 6-Fluoro-1H-indole-4-carboxylic acid methyl ester
• CAS No.: 1082040-43-4
• Molecular Formula: C10H8FNO2
• Molecular Weight: 193.177
• Hs Code.: 2933998090
• Mol file: 1082040-43-4.mol

Synonyms:RW3728;6-fluoro-1H-indole-4-carboxylic acid methyl ester;methyl 6-Fluoro indole-4-carboxylate;6-Fluoro indole-4-methylcarboxylate;

Chemical Property of 6-Fluoro-1H-indole-4-carboxylic acid methyl ester

Chemical Property:

• Boiling Point: 343.7±27.0 °C(Predicted)
• PKA: 15.20±0.30(Predicted)
• PSA: 42.09000
• Density: 1.341±0.06 g/cm3(Predicted)
• LogP: 2.09360
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99%, ^*data from raw suppliers

6-Fluoro-1H-indole-4-carboxylicacidmethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 6-Fluoro-1H-indole-4-carboxylic acid methyl ester (CAS# 1082040-43-4) is an indole derivative and a useful building block, used in the synthesis of PARP Inhibitors, and drug intermediates such as the anti-?ovarian cancer drug, rucaparib.

Technology Process of 6-Fluoro-1H-indole-4-carboxylic acid methyl ester

There total 6 articles about 6-Fluoro-1H-indole-4-carboxylic acid 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: 32.0%

5-fluoro-2-methyl-3-nitrobenzoic acid methyl ester (697739-03-0) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 6-fluoro-1H-indole-4-carboxylic acid methyl ester (1082040-43-4)

Guidance literature:

5-fluoro-2-methyl-3-nitrobenzoic acid methyl ester; N,N-dimethyl-formamide dimethyl acetal; With triethylamine; In N,N-dimethyl-formamide; at 95 - 100 ℃; for 4h; Large scale;

With palladium 10% on activated carbon; hydrogen; sodium acetate; In methanol; N,N-dimethyl-formamide; at 30 ℃; for 4h; Large scale;

DOI:10.1021/op200238p

Reference yield:

methyl 2-(2-dimethylaminovinyl)-5-fluoro-3-nitrobenzoate → 6-fluoro-1H-indole-4-carboxylic acid methyl ester (1082040-43-4)

Guidance literature:

With hydrogen; In methanol; at 40 ℃; for 10h; under 7600.51 Torr; Temperature;

Reference yield:

5-fluoro-2-methylbenzoic acid (33184-16-6) → 6-fluoro-1H-indole-4-carboxylic acid methyl ester (1082040-43-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfuric acid; nitric acid / water / 0.5 h / 0 - 5 °C / Large scale

2.1: sulfuric acid; nitric acid / water / 24 h / 65 °C / Large scale

3.1: triethylamine / N,N-dimethyl-formamide / 4 h / 95 - 100 °C / Large scale

3.2: 4 h / 30 °C / Large scale

With sulfuric acid; nitric acid; triethylamine; In water; N,N-dimethyl-formamide; 3.1: |Leimgruber-Batcho Indole Synthesis / 3.2: |Leimgruber-Batcho Indole Synthesis;

DOI:10.1021/op200238p

upstream raw materials:

5-fluoro-2-methyl-3-nitrobenzoic acid methyl ester

N,N-dimethyl-formamide dimethyl acetal

5-fluoro-2-methylbenzoic acid

5-fluoro-2-methyl-3-nitrobenzoic acid

Downstream raw materials:

N-(2-Hydroxyethyl)phthalimide

3-(2-(phthalimido)ethyl)-6-fluoro-1H-indole-4-carboxylic acid methyl ester

6-fluoro-3,10-diazatricyclo[6.4.1.0^4,13]trideca-1,4⁽¹³⁾,5,7-tetraen-9-one

Rucaparib

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