Ethyl 3-sulfanylbenzoate

Base Information

Chemical Name:Ethyl 3-sulfanylbenzoate
CAS No.:41651-93-8
Molecular Formula:C9H10O2S
Molecular Weight:182.243
Hs Code.:
DSSTox Substance ID:DTXSID30528424
Nikkaji Number:J1.722.299F
Wikidata:Q82398054
Mol file:41651-93-8.mol

Synonyms:Ethyl 3-sulfanylbenzoate;41651-93-8;ethyl 3-mercaptobenzoate;Benzoic acid, 3-mercapto-, ethyl ester;Ethyl3-sulfanylbenzoate;SCHEMBL2451597;DTXSID30528424;SGANYRZUHNIRAM-UHFFFAOYSA-N;AT35528;EN300-190987

Suppliers and Price of Ethyl 3-sulfanylbenzoate

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
ethyl3-sulfanylbenzoate
50mg
$ 175.00

AK Scientific
Ethyl3-sulfanylbenzoate
250mg
$ 391.00

Total 1 raw suppliers

Chemical Property of Ethyl 3-sulfanylbenzoate

Chemical Property:

PSA：65.10000
LogP:2.15200
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.04015073
Heavy Atom Count:12
Complexity:159

Purity/Quality:: ethyl3-sulfanylbenzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC(=CC=C1)S

Technology Process of Ethyl 3-sulfanylbenzoate

There total 4 articles about Ethyl 3-sulfanylbenzoate 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: 77.0%

: ethyl 3-((4-methoxybenzyl)thio)benzoate

: 41651-93-8
ethyl 3-mercaptobenzoate

Guidance literature:: With trifluoroacetic acid; at 70 ℃; for 12h;

Reference yield: 37.0%

: 58313-23-8
3-iodobenzoic acid methyl ester

: 41651-93-8
ethyl 3-mercaptobenzoate

Guidance literature:: With sodium cyanoborohydride; thiourea; nickel dibromide; In N,N-dimethyl-formamide;
DOI:10.1016/S0040-4039(02)00617-2

Reference yield:

: 24398-88-7
ethyl 3-bromobenzoate

: 41651-93-8
ethyl 3-mercaptobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / KI; CuI / hexamethylphosphoric acid triamide / 72 h / 155 °C

2: 37 percent / thiourea; NiBr₂; NaBH₃CN / dimethylformamide

With copper(l) iodide; sodium cyanoborohydride; thiourea; potassium iodide; nickel dibromide; In N,N,N,N,N,N-hexamethylphosphoric triamide; N,N-dimethyl-formamide;
DOI:10.1016/S0040-4039(02)00617-2