1-Benzothiophene-6-carboxylic acid

Base Information

• Chemical Name: 1-Benzothiophene-6-carboxylic acid
• CAS No.: 6179-26-6
• Molecular Formula: C9H6O2S
• Molecular Weight: 178.20800
• Hs Code.: 2934999090
• Mol file: 6179-26-6.mol

Synonyms:Benzothiophen-6-carbonsaeure;1-Benzothiophene-6-carboxylic acid;Benzo[b]thiophen-6-carbonsaeure;benzo[b]thiophene-6-carboxylic acid;6-Carboxy-benzothiophen;benzothiophene-6-carboxylic acid;1-Benzothiophene-6-carboxylic acid?;

Chemical Property of 1-Benzothiophene-6-carboxylic acid

Chemical Property:

• Melting Point: 236 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 376.2±15.0 °C(Predicted)
• PKA: 4.12±0.30(Predicted)
• PSA: 65.54000
• Density: 1.419±0.06 g/cm3(Predicted)
• LogP: 2.59950

Purity/Quality:

97% ^*data from raw suppliers

Benzo[b]thiophene-6-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-Benzothiophene-6-carboxylic acid

There total 13 articles about 1-Benzothiophene-6-carboxylic acid 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: 99.2%

benzo[b]thiophene-6-carbonitrile (154650-81-4) → benzo[b]thiophene-6-carboxylic acid (6179-26-6)

Guidance literature:

With potassium hydroxide; In methanol; water; at 120 ℃;

Reference yield: 99.0%

6-bromobenzothiophene (17347-32-9) + diphenylmethylsilanecarboxylic acid (18414-58-9) → benzo[b]thiophene-6-carboxylic acid (6179-26-6)

Guidance literature:

With lithium trimethylsilanolate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In 1,4-dioxane; at 80 ℃; for 16h; Inert atmosphere; Glovebox;

DOI:10.1021/ol4003465

Reference yield: 67.0%

→ benzo[b]thiophene-6-carboxylic acid (6179-26-6)

Guidance literature:

upstream raw materials:

6-bromobenzothiophene

benzo[b]thiophene-6-carbonitrile

benzo[b]thiophene-6-carbaldehyde

methyl benzo[b]thiophene-6-carboxylate

Downstream raw materials:

benzothiophene-6-methanol

benzo[b]thiophene-6-carbaldehyde