Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI)

Base Information

• Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI)
• CAS No.: 616238-78-9
• Molecular Formula: C10H9NO2S
• Molecular Weight: 207.253
• Hs Code.: 2934999090
• Mol file: 616238-78-9.mol

Synonyms:Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI)

Chemical Property of Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI)

Chemical Property:

• Vapor Pressure: 4.59E-06mmHg at 25°C
• Refractive Index: 1.688
• Boiling Point: 382.8°C at 760 mmHg
• Flash Point: 185.3°C
• PSA: 80.56000
• Density: 1.352g/cm³
• LogP: 2.85130
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

97% ^*data from raw suppliers

Methyl7-aminobenzo[b]thiophene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI)

There total 2 articles about Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI) 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: 100.0%

7-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester (34084-89-4) → 7-amino-benzo[b]thiophene-2-carboxylic acid methyl ester (616238-78-9)

Guidance literature:

7-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester; With hydrogenchloride; acetic acid; tin(ll) chloride; In water; at 20 ℃; for 12h;

With sodium hydrogencarbonate; In water; at 0 ℃; pH=9;

Reference yield:

2-chloro-3-nitrobenzaldehyde (58755-57-0) → 7-amino-benzo[b]thiophene-2-carboxylic acid methyl ester (616238-78-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / K₂CO₃ / dimethylformamide / 12 h / 0 - 20 °C

2: 98 percent / H₂ / Pd/C / ethyl acetate / 12 h / 20 °C / 760.05 Torr

With hydrogen; potassium carbonate; palladium on activated charcoal; In ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1021/jm070415w

Reference yield: 83.0%

7-amino-benzo[b]thiophene-2-carboxylic acid methyl ester (616238-78-9) + Benzoyl isothiocyanate (532-55-8) → methyl 7-(3-benzoylthioureido)benzo[b]thiophene-2-carboxylate

Guidance literature:

In acetonitrile; at 20 ℃;

upstream raw materials:

7-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester

2-chloro-3-nitrobenzaldehyde

Downstream raw materials:

7-[(6-chloro-pyridine-3-carbonyl)-amino]-benzo[b]thiophene-2-carboxylic acid methyl ester

N-[2-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-benzo[b]thiophen-7-yl]-6-chloronicotinamide

N-[2-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-benzo[b]thiophen-7-yl]-6-(4-methoxy-benzylamino)-nicotinamide

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