4-Benzylthiophene-2-carboxylic acid

Base Information

Chemical Name:4-Benzylthiophene-2-carboxylic acid
CAS No.:27921-49-9
Molecular Formula:C12H10O2S
Molecular Weight:218.27
Hs Code.:2934999090
DSSTox Substance ID:DTXSID50566343
Nikkaji Number:J88.531B
Wikidata:Q82451927
Mol file:27921-49-9.mol

Synonyms:4-benzylthiophene-2-carboxylic acid;27921-49-9;4-benzyl-2-thiophenecarboxylic acid;4-Benzyl- 2-thiophenecarboxylic Acid;SCHEMBL15877409;DTXSID50566343;CBA92149;4-(Phenylmethyl)-2-thiophenecarboxylic Acid

Suppliers and Price of 4-Benzylthiophene-2-carboxylic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-Benzyl-2-thiophenecarboxylicAcid
2.5g
$ 1320.00

Total 3 raw suppliers

Chemical Property of 4-Benzylthiophene-2-carboxylic acid

Chemical Property:

PSA：65.54000
LogP:3.03710
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:218.04015073
Heavy Atom Count:15
Complexity:224

Purity/Quality:

99% ^*data from raw suppliers

4-Benzyl-2-thiophenecarboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC2=CSC(=C2)C(=O)O
Uses 4-Benzyl- 2-thiophenecarboxylic Acid is a derivative of 2-Thenoic Acid (T343505), used in the synthesis of pharmaceutical and biologically active compounds. 2-Thenoic Acid is also shown to be utilized by presumptive Rhodococcus bacterium in soil, as a sole source of carbon.

Technology Process of 4-Benzylthiophene-2-carboxylic acid

There total 4 articles about 4-Benzylthiophene-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: 95.0%

: 156491-71-3
4-Benzyl-thiophene-2-carboxylic acid methyl ester

: 27921-49-9
4-benzyl-thiophene-2-carboxylic acid

Guidance literature:: With sodium hydroxide; In methanol; Heating;
DOI:10.1080/00397919408010175

Reference yield:

: 88905-12-8
2-benzyl-1,3-propanedione

: 27921-49-9
4-benzyl-thiophene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: conc. HCl / 0.25 h / 120 - 130 °C

2: NaOMe / methanol / 0.5 h / Ambient temperature

3: 95 percent / aq. NaOH / methanol / Heating

With hydrogenchloride; sodium hydroxide; sodium methylate; In methanol;
DOI:10.1080/00397919408010175

Reference yield:

: 1027157-70-5
(2-Formyl-1-methoxycarbonylmethylsulfanyl-3-phenyl-propylsulfanyl)-acetic acid methyl ester

: 27921-49-9
4-benzyl-thiophene-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: NaOMe / methanol / 0.5 h / Ambient temperature

2: 95 percent / aq. NaOH / methanol / Heating

With sodium hydroxide; sodium methylate; In methanol;
DOI:10.1080/00397919408010175