1-[3-Chloro-2-(methylsulfanyl)phenyl]ethan-1-one

Base Information

Chemical Name:1-[3-Chloro-2-(methylsulfanyl)phenyl]ethan-1-one
CAS No.:89604-36-4
Molecular Formula:C9H9ClOS
Molecular Weight:200.689
Hs Code.:
DSSTox Substance ID:DTXSID60525643
Wikidata:Q82393389

Synonyms:89604-36-4;1-(3-chloro-2-(methylthio)phenyl)ethanone;1-[3-Chloro-2-(methylsulfanyl)phenyl]ethan-1-one;DTXSID60525643

Suppliers and Price of 1-[3-Chloro-2-(methylsulfanyl)phenyl]ethan-1-one

Supply Marketing:

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

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Chemical Property of 1-[3-Chloro-2-(methylsulfanyl)phenyl]ethan-1-one

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:200.0062638
Heavy Atom Count:12
Complexity:172

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C1=C(C(=CC=C1)Cl)SC

Technology Process of 1-[3-Chloro-2-(methylsulfanyl)phenyl]ethan-1-one

There total 9 articles about 1-[3-Chloro-2-(methylsulfanyl)phenyl]ethan-1-one 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:

: 624-92-0
Dimethyldisulphide

: C₁₀H₁₂ClLiNO^(1-)*Li⁽¹⁺⁾

: 2142-68-9
1-(2-chlorophenyl)ethanone

: 89604-36-4
1-<3-chloro-2-(methylthio)phenyl>ethanone

Guidance literature:: With water; hydrogen cation; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, -42 deg C;
DOI:10.1016/S0040-4039(00)94113-3

Reference yield:

: 2-(3-Chloro-2-methylsulfanyl-benzoyl)-malonic acid diethyl ester

: 89604-36-4
1-<3-chloro-2-(methylthio)phenyl>ethanone

Guidance literature:: With sulfuric acid; In water; acetic acid; for 2h; Yield given; Heating;

Reference yield:

: 147460-60-4
3-chloro-2-(methylsufanyl)benzoic acid

: 89604-36-4
1-<3-chloro-2-(methylthio)phenyl>ethanone

Guidance literature:: Multi-step reaction with 3 steps

1: SOCl₂, DMF / 1,2-dichloro-ethane / Heating

2: Mg(OEt)2 / diethyl ether / 0.33 h / Heating

3: concd. H₂SO₄ / acetic acid; H₂O / 2 h / Heating

With thionyl chloride; sulfuric acid; magnesium ethylate; N,N-dimethyl-formamide; In diethyl ether; water; acetic acid; 1,2-dichloro-ethane;