7-Chloro-1-benzothiophene-2-carboxylic acid

Base Information

• Chemical Name: 7-Chloro-1-benzothiophene-2-carboxylic acid
• CAS No.: 90407-16-2
• Molecular Formula: C9H5 Cl O2 S
• Molecular Weight: 212.6528
• Hs Code.: 2934999090
• European Community (EC) Number: 864-748-7
• DSSTox Substance ID: DTXSID80436661
• Nikkaji Number: J3.425.734E
• Wikidata: Q72517312
• Mol file: 90407-16-2.mol

Synonyms:7-Chloro-1-benzothiophene-2-carboxylic acid;90407-16-2;7-Chlorobenzo[b]thiophene-2-carboxylic acid;MFCD07377072;Benzo[b]thiophene-2-carboxylic acid, 7-chloro-;Benzo[b]thiophene-2-carboxylicacid, 7-chloro-;SCHEMBL2598181;DTXSID80436661;AAXOHLXWCUMMQS-UHFFFAOYSA-N;CS-M1618;BBL030767;STL247552;AKOS005072649;GA-0946;SB14695;SY026154;7-chloro-2-benzo[b]thiophenecarboxylic acid;AM20061024;FT-0681063;EN300-186719;7-Chloro-1-benzo[b]thiophene-2-carboxylic acid;A860807;AN-584/43484537;J-519214;Z1269194521

Chemical Property of 7-Chloro-1-benzothiophene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 289-291
• Boiling Point: 408.6°Cat760mmHg
• PKA: 3.27±0.30(Predicted)
• Flash Point: 200.9°C
• PSA: 65.54000
• Density: 1.546g/cm³
• LogP: 3.25290
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 211.9698783
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

99%, ^*data from raw suppliers

7-Chloro-1-benzothiophene-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Cl)SC(=C2)C(=O)O

Technology Process of 7-Chloro-1-benzothiophene-2-carboxylic acid

There total 8 articles about 7-Chloro-1-benzothiophene-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: 90.0%

ethyl 7-chlorobenzothiophene-2-carboxylate (90407-15-1) → 7-chlorobenzo[b]thiophene-2-carboxylic acid (90407-16-2)

Guidance literature:

With sodium hydroxide; In ethanol; water;

Reference yield: 82.0%

mercaptoacetic acid (68-11-1) + 2,3-dichlorobenzylaldehyde (6334-18-5) → 7-chlorobenzo[b]thiophene-2-carboxylic acid (90407-16-2)

Guidance literature:

With potassium hydroxide; In diethyl ether; at 120 ℃; for 2h;

Reference yield: 30.0%

β-(2,3-dichlorophenyl)-α-mercaptoacrylic acid (90407-18-4) → 7-chlorobenzo[b]thiophene-2-carboxylic acid (90407-16-2)

Guidance literature:

With sodium hydroxide; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 80 ℃; for 5.5h;

upstream raw materials:

β-(2,3-dichlorophenyl)-α-mercaptoacrylic acid

ethyl 7-chlorobenzothiophene-2-carboxylate

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

2,3-dichloroaniline

Downstream raw materials:

7-chlorobenzo[b]thiophene-2-carboxylic acid chloride

(R)-7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide hydrochloride

(R)-7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide hydrochloride

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