4-(5-Cyanothiophen-2-YL)benzoic acid

Base Information

Chemical Name:4-(5-Cyanothiophen-2-YL)benzoic acid
CAS No.:402767-55-9
Molecular Formula:C₁₂H₇NO₂S
Molecular Weight:229.259
Hs Code.:
DSSTox Substance ID:DTXSID20573903
Wikidata:Q82462752
Mol file:402767-55-9.mol

Synonyms:4-(5-CYANOTHIOPHEN-2-YL)BENZOIC ACID;402767-55-9;SCHEMBL2245142;DTXSID20573903;SMIFALAUUCHAET-UHFFFAOYSA-N;AKOS011343166;4(5-cyano-thiophen-2-yl)-benzoic acid;4-(5-cyano-thiophen-2-yl)-benzoic acid

Suppliers and Price of 4-(5-Cyanothiophen-2-YL)benzoic acid

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 4-(5-Cyanothiophen-2-YL)benzoic acid

Chemical Property:

PSA：89.33000
LogP:2.98498
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:229.01974964
Heavy Atom Count:16
Complexity:314

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=CC=C(S2)C#N)C(=O)O

Technology Process of 4-(5-Cyanothiophen-2-YL)benzoic acid

There total 1 articles about 4-(5-Cyanothiophen-2-YL)benzoic 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: 12.4%

: 1003-31-2
thiophene-2-carbonitrile

: 150-13-0,159246-81-8,8014-65-1
4-amino-benzoic acid

: 402767-55-9
5-(4-carboxyphenyl)-2-thiophenecarbonitrile

Guidance literature:: 4-amino-benzoic acid; With hydrogenchloride; sodium nitrite; at 5 ℃; for 0.333333h;

thiophene-2-carbonitrile; In acetone; at 20 ℃; for 120h;
DOI:10.3987/com-01-9305

Reference yield: 82.3%

: 402767-55-9
5-(4-carboxyphenyl)-2-thiophenecarbonitrile

: 402767-59-3
2-(4-chlorocarbonylphenyl)-5-thiophenecarbonitrile

Guidance literature:: With thionyl chloride; Heating;
DOI:10.3987/com-01-9305

Reference yield:

: 402767-55-9
5-(4-carboxyphenyl)-2-thiophenecarbonitrile

: 402767-63-9
2-[4-(6-cyanobenzothiazol-2-yl)phenyl]-5-thiophenecarbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 82.3 percent / thionyl chloride / Heating

2: 73.2 percent / chlorobenzene / 70 h / Heating

With thionyl chloride; In chlorobenzene;
DOI:10.3987/com-01-9305