Benzoic acid, 4-(3-thienyl)-, ethyl ester

Base Information

Chemical Name:Benzoic acid, 4-(3-thienyl)-, ethyl ester
CAS No.:172035-83-5
Molecular Formula:C13H12O2S
Molecular Weight:232.303
Hs Code.:
DSSTox Substance ID:DTXSID80445758
Nikkaji Number:J694.300D
Mol file:172035-83-5.mol

Synonyms:172035-83-5;Benzoic acid, 4-(3-thienyl)-, ethyl ester;Ethyl 4-(3-thienyl)benzoate;SCHEMBL6705545;DTXSID80445758;FT-0716627

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

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Chemical Property of Benzoic acid, 4-(3-thienyl)-, ethyl ester

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:232.05580079
Heavy Atom Count:16
Complexity:234

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzoic acid, 4-(3-thienyl)-, ethyl ester

There total 9 articles about Benzoic acid, 4-(3-thienyl)-, ethyl ester 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: 100.0%

: 172035-83-5
4-(thiophen-3-yl)-benzoic acid ethyl ester

Guidance literature:

Reference yield: 98.0%

: 6165-69-1
Thien-3-ylboronic acid

: 51934-41-9
4-iodobenzoic acid ethyl ester

: 172035-83-5
4-(thiophen-3-yl)-benzoic acid ethyl ester

Guidance literature:: With water; triethylamine; Pd(OAc)2EnCat^TM; In N,N-dimethyl-formamide; at 120 ℃; for 0.25h; microwave irradiation;
DOI:10.1055/s-2007-977457

Reference yield: 79.0%

: 872-31-1
3-Bromothiophene

: 5798-75-4
Ethyl 4-bromobenzoate

: 172035-83-5
4-(thiophen-3-yl)-benzoic acid ethyl ester

Guidance literature:: With sodium tetrachloropalladate(II); tetrahydroxydiboron; sodium dodecyl-sulfate; tricyclohexylphosphine tetrafluoroborate; sodium hydroxide; In water; at 60 - 100 ℃; for 12h; chemoselective reaction;
DOI:10.1039/c8nj02184h