Ethyl 3-[2-(methylsulfanyl)phenyl]prop-2-ynoate

Base Information

Chemical Name:Ethyl 3-[2-(methylsulfanyl)phenyl]prop-2-ynoate
CAS No.:157889-58-2
Molecular Formula:C12H12O2S
Molecular Weight:220.292
Hs Code.:
DSSTox Substance ID:DTXSID00562759
Nikkaji Number:J612.135G
Wikidata:Q82447029

Synonyms:157889-58-2;Ethyl 3-[2-(methylsulfanyl)phenyl]prop-2-ynoate;DTXSID00562759

Suppliers and Price of Ethyl 3-[2-(methylsulfanyl)phenyl]prop-2-ynoate

Supply Marketing:

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

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Chemical Property of Ethyl 3-[2-(methylsulfanyl)phenyl]prop-2-ynoate

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:220.05580079
Heavy Atom Count:15
Complexity:274

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C#CC1=CC=CC=C1SC

Technology Process of Ethyl 3-[2-(methylsulfanyl)phenyl]prop-2-ynoate

There total 3 articles about Ethyl 3-[2-(methylsulfanyl)phenyl]prop-2-ynoate 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: 82.0%

: 131292-24-5
(α-ethoxycarbonyl-α-2-methylsulfanylbenzoylmethylene)triphenylphosphorane

: 157889-58-2
ethyl 2-(methylsulfanyl)phenylpropiolate

Guidance literature:: at 500 ℃; under 0.1 - 1 Torr;

Reference yield: 54.0%

: 33775-94-9
2-(methylthio)iodobenzene

: 623-47-2
propynoic acid ethyl ester

: 157889-58-2
ethyl 2-(methylsulfanyl)phenylpropiolate

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 20 ℃; for 2h; Inert atmosphere;
DOI:10.1016/j.tetlet.2016.05.033

Reference yield:

: 1442-03-1
2-methylsulfanyl-benzoyl chloride

: 157889-58-2
ethyl 2-(methylsulfanyl)phenylpropiolate

Guidance literature:: Multi-step reaction with 2 steps

1: 69 percent / Et₃N / toluene / 3 h / Ambient temperature

2: 82 percent / 500 °C / 0.1 - 1 Torr

With triethylamine; In toluene;