4-Phenylthiophene-3-carboxylic acid

Base Information

• Chemical Name: 4-Phenylthiophene-3-carboxylic acid
• CAS No.: 23062-42-2
• Molecular Formula: C11H8O2S
• Molecular Weight: 204.249
• European Community (EC) Number: 855-803-6
• NSC Number: 149722
• DSSTox Substance ID: DTXSID80302216
• Nikkaji Number: J1.512.545D
• Wikidata: Q82046806
• Mol file: 23062-42-2.mol

Synonyms:4-phenylthiophene-3-carboxylic acid;23062-42-2;NSC149722;SCHEMBL9674386;DTXSID80302216;4-phenylthiophene-3-carboxylicacid;AC5682;MFCD01927369;AKOS004115524;3-Thiophenecarboxylic acid, 4-phenyl-;NSC 149722;NSC-149722;SY034104;EN300-213687;Z1278924065

Chemical Property of 4-Phenylthiophene-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000184mmHg at 25°C
• Boiling Point: 315.5°Cat760mmHg
• Flash Point: 144.6°C
• Density: 1.303g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.02450067
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CSC=C2C(=O)O

Technology Process of 4-Phenylthiophene-3-carboxylic acid

There total 9 articles about 4-Phenylthiophene-3-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: 87.0%

methyl 4-phenylthiophene-3-carboxylate (38695-71-5) → 4-phenylthiophene-3-carboxylic acid (23062-42-2)

Guidance literature:

With sodium hydroxide; In ethanol; for 6h; Reflux;

DOI:10.1016/j.bmc.2014.04.031

Reference yield: 87.0%

3-bromo-4-phenylthiophene (23062-41-1) + carbon dioxide (124-38-9,18923-20-1) → 4-phenylthiophene-3-carboxylic acid (23062-42-2)

Guidance literature:

3-bromo-4-phenylthiophene; With n-butyllithium; In diethyl ether; at -78 ℃; for 0.5h; Inert atmosphere;

carbon dioxide; In diethyl ether; at -78 ℃; for 1h; Inert atmosphere;

With hydrogenchloride; In water;

DOI:10.1002/poc.1754

Reference yield:

4-bromo-3-thiophenecarboxylic acid (16694-17-0) + phenylboronic acid (98-80-6) → 4-phenylthiophene-3-carboxylic acid (23062-42-2)

Guidance literature:

Pd⁽⁰⁾ catalyst;

upstream raw materials:

methyl 4-phenylthiophene-3-carboxylate

2-mercaptoacetophenone

1-chloroacetophenone

4-bromo-3-thiophenecarboxylic acid

Downstream raw materials:

C₁₅H₁₃NO₅S

8H-Indeno<1,2-c>thiophen-8-on

1-azabicyclo[2.2.2]oct-4-yl (4-phenyl-3-thienyl)carbamate hydrochloride

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