3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-

Base Information

Chemical Name:3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-
CAS No.:89556-17-2
Molecular Formula:C14H10O2S
Molecular Weight:242.298
Hs Code.:
DSSTox Substance ID:DTXSID60355982
Wikidata:Q82135091

Synonyms:3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-;89556-17-2;DTXSID60355982

Suppliers and Price of 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:242.04015073
Heavy Atom Count:17
Complexity:346

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(S1)C#CC2=CC=CC=C2)C(=O)O

Technology Process of 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)-

There total 3 articles about 3-Thiophenecarboxylic acid, 5-methyl-2-(phenylethynyl)- 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:

: 29421-92-9
4-bromo-2-methylthiophene

: 89556-17-2
5-methyl-2-(phenylethynyl)-3-thiophenecarboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 75 percent / HIO₃/I₂/H₂SO₄ / acetic acid; H₂O; CCl₄ / 2 h / 40 °C

2: 70 percent / Pd(OAc)2, PPh₃ / 20 h

3: 1) BuLi / ether, hexane

With n-butyllithium; sulfuric acid; iodine; iodic acid; palladium diacetate; triphenylphosphine; In tetrachloromethane; water; acetic acid;
DOI:10.1021/jo00185a039

Reference yield:

: 89556-08-1
3-bromo-2-iodo-5-methylthiophene

: 89556-17-2
5-methyl-2-(phenylethynyl)-3-thiophenecarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / Pd(OAc)2, PPh₃ / 20 h

2: 1) BuLi / ether, hexane

With n-butyllithium; palladium diacetate; triphenylphosphine;
DOI:10.1021/jo00185a039