3,4-Dichlorothioanisole

Base Information

Chemical Name:3,4-Dichlorothioanisole
CAS No.:17733-23-2
Molecular Formula:C7H6 Cl2 S
Molecular Weight:193.097
Hs Code.:2930909090
European Community (EC) Number:666-236-7
DSSTox Substance ID:DTXSID50374228
Nikkaji Number:J827.897K
Wikidata:Q82162745
ChEMBL ID:CHEMBL530565
Mol file:17733-23-2.mol

Synonyms:3,4-Dichlorothioanisole;17733-23-2;1,2-dichloro-4-methylsulfanylbenzene;1,2-dichloro-4-(methylsulfanyl)benzene;GNF-Pf-267;Benzene, 1,2-dichloro-4-(methylthio)-;(3,4-dichlorophenyl)(methyl)sulfane;CHEMBL530565;SCHEMBL1145370;DTXSID50374228;3,4-dichlorophenyl methyl sulfide;Methyl 3,4-dichlorophenyl sulfide;Methyl(3,4-dichlorophenyl) sulfide;3,4-Dichloro-1-(methylthio)benzene;AKOS006343759;AC-16434;Dimyristylperoxydicarbonate(nhotmorethan42%,dispersedinwater)

Suppliers and Price of 3,4-Dichlorothioanisole

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

American Custom Chemicals Corporation
3,4-DICHLOROTHIOANISOLE 95.00%
5MG
$ 497.45

Total 6 raw suppliers

Chemical Property of 3,4-Dichlorothioanisole

Chemical Property:

PSA：25.30000
LogP:3.71530
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:191.9567268
Heavy Atom Count:10
Complexity:108

Purity/Quality:

98%min ^*data from raw suppliers

3,4-DICHLOROTHIOANISOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=CC(=C(C=C1)Cl)Cl

Technology Process of 3,4-Dichlorothioanisole

There total 5 articles about 3,4-Dichlorothioanisole 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: 68.0%

: 13532-18-8
methyl 3-(methylthio)propionate

: 243661-79-2
3,4-dichloro-1-trifluoromethanesulfonyloxybenzene

: 17733-23-2
methyl 3,4-dichlorophenyl sulfide

Guidance literature:: With palladium(II) trifluoroacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 5,5-dimethyl-1,3-cyclohexadiene; at 80 ℃; for 24h; Inert atmosphere;
DOI:10.1002/ejoc.202100822

Reference yield:

: C₈H₉Cl₂S⁽¹⁺⁾*BF₄^(1-)

: 17733-23-2
methyl 3,4-dichlorophenyl sulfide

: 420-37-1
trimethoxonium tetrafluoroborate

Guidance literature:: With Dimethyl ether; In N,N-dimethyl-formamide; Equilibrium constant; other solvents; methyl transfer between substituted phenylmethyl thioesters and Me₃O⁺BF₄^-;
DOI:10.1021/jo961658r

Reference yield:

: 102104-99-4
N-(6-methylbenzo<5,6>cyclohepta<1,2-c>pyridin-11-ylidene)-3,4-dichlorobenzenesulfenamide

: 17733-23-2
methyl 3,4-dichlorophenyl sulfide

: 78142-05-9
6-methylbenzo<5,6>cyclohepta<1,2-c>pyridin-11-imine

: 72694-64-5
6-methylbenzo<5,6>cyclohepta<1,2-c>pyridin-11-one

Guidance literature:: With methyllithium; In diethyl ether; Title compound not separated from byproducts; 1) -78 deg C; 2) 25 deg C, 1 h;
DOI:10.1002/jhet.5570230129