Benzoic acid, 4-[(2-hydroxyethyl)thio]-, methyl ester

Base Information

Chemical Name:Benzoic acid, 4-[(2-hydroxyethyl)thio]-, methyl ester
CAS No.:13458-01-0
Molecular Formula:C₁₀H₁₂O₃S
Molecular Weight:212.269
Hs Code.:
DSSTox Substance ID:DTXSID601215266

Synonyms:13458-01-0;SCHEMBL7611290;Benzoic acid, 4-[(2-hydroxyethyl)thio]-, methyl ester;DTXSID601215266

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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-[(2-hydroxyethyl)thio]-, methyl ester

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:212.05071541
Heavy Atom Count:14
Complexity:176

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)SCCO

Technology Process of Benzoic acid, 4-[(2-hydroxyethyl)thio]-, methyl ester

There total 3 articles about Benzoic acid, 4-[(2-hydroxyethyl)thio]-, methyl 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: 99.0%

: 555-16-8
4-nitrobenzaldehdye

: 67-68-5,8070-53-9
dimethyl sulfoxide

: 60-24-2
2-hydroxyethanethiol

: 13458-01-0
2-hydroxyethyl 4-methoxycarbonylphenyl sulfide

Guidance literature:: With caesium carbonate; at 25 ℃; for 0.75h;
DOI:10.1016/j.tet.2005.11.073

Reference yield: 94.0%

: 125597-86-6
S-(2-hydroxyethyl) 4-toluenethiosulfonate

: 99768-12-4
4-methoxycarbonylphenylboronic acid

: 13458-01-0
2-hydroxyethyl 4-methoxycarbonylphenyl sulfide

Guidance literature:: With sodium hydrogencarbonate; copper(II) sulfate; In methanol; at 20 ℃; for 24h; Inert atmosphere;
DOI:10.1039/c5cc07463k

Reference yield: 60.0%

: 619-44-3
methyl 4-iodobenzoate

: 60-24-2
2-hydroxyethanethiol

: 13458-01-0
2-hydroxyethyl 4-methoxycarbonylphenyl sulfide

Guidance literature:: With nickel(II) bromide trihydrate; N-isopropyl-N-tert-butylamine; 4,4'-di-tert-butyl-2,2'-bipyridine; In acetonitrile; at 40 ℃; for 48h; Irradiation; Sealed tube;
DOI:10.1021/acs.orglett.9b01957