5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID

Base Information

• Chemical Name: 5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
• CAS No.: 885279-13-0
• Molecular Formula: C10H5 F3 O3 S
• Molecular Weight: 262.21
• Hs Code.: 2934999090
• Mol file: 885279-13-0.mol

Synonyms:5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID

Chemical Property of 5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID

Chemical Property:

• Boiling Point: 357.8±37.0 °C(Predicted)
• PKA: 3.29±0.30(Predicted)
• PSA: 74.77000
• Density: 1.580±0.06 g/cm3(Predicted)
• LogP: 3.49810

Purity/Quality:

97% ^*data from raw suppliers

5-(Trifluoromethoxy)-1-benzothiophene-2-carboxylic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID

There total 2 articles about 5-TRIFLUOROMETHOXY-BENZO[B]THIOPHENE-2-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:

methyl 5-trifluoromethoxybenzo[b]thiophene-2-carboxylate (885279-16-3) → 5-trifluoromethoxybenzo[b]thiophene-2-carboxylic acid (885279-13-0)

Guidance literature:

With lithium hydroxide monohydrate; In methanol; water; at 80 ℃; for 2h;

Reference yield:

2-fluoro-5-(trifluoromethoxy)benzaldehyde (886497-81-0) → 5-trifluoromethoxybenzo[b]thiophene-2-carboxylic acid (885279-13-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 80 °C

2: lithium hydroxide monohydrate / water; methanol / 2 h / 80 °C

With lithium hydroxide monohydrate; potassium carbonate; In methanol; water; N,N-dimethyl-formamide;

Reference yield:

2,2-dimethyl-5-phenyl-1,3-dioxan-5-amine (37561-42-5) + 5-trifluoromethoxybenzo[b]thiophene-2-carboxylic acid (885279-13-0) → C22H20F3NO4S

Guidance literature:

5-trifluoromethoxybenzo[b]thiophene-2-carboxylic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

2,2-dimethyl-5-phenyl-1,3-dioxan-5-amine; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 5h;

DOI:10.1016/j.ejmech.2021.113987

upstream raw materials:

2-fluoro-5-(trifluoromethoxy)benzaldehyde

methyl 5-trifluoromethoxybenzo[b]thiophene-2-carboxylate

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