Benzene, 1-[bis(methylthio)methyl]-4-chloro-

Base Information

• Chemical Name: Benzene, 1-[bis(methylthio)methyl]-4-chloro-
• CAS No.: 61094-67-5
• Molecular Formula: C₉H₁₁ClS₂
• Molecular Weight: 218.771
• DSSTox Substance ID: DTXSID00486608
• Wikidata: Q82327825

Synonyms:61094-67-5;Benzene, 1-[bis(methylthio)methyl]-4-chloro-;DTXSID00486608

Chemical Property of Benzene, 1-[bis(methylthio)methyl]-4-chloro-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 217.9990704
• Heavy Atom Count: 12
• Complexity: 118

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(C1=CC=C(C=C1)Cl)SC

Technology Process of Benzene, 1-[bis(methylthio)methyl]-4-chloro-

There total 6 articles about Benzene, 1-[bis(methylthio)methyl]-4-chloro- 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: 72.0%

Dimethyldisulphide (624-92-0) + 4-chlorobenzaldehyde (104-88-1) → (4-Chlorphenyl)bis(methylthio)methan (61094-67-5)

Guidance literature:

With indium; chloro-trimethyl-silane; In acetonitrile; for 2h; Reflux;

DOI:10.1016/j.tet.2008.12.079

Reference yield: 31.0%

methyl 4-chlorobenzenecarbodithioate (5990-17-0) → (4-Chlorphenyl)bis(methylthio)methan (61094-67-5) + (E)-1,2-Bis(4-chlorphenyl)-1,2-bis(methylthio)ethen (108593-08-4) + (Z)-1,2-Bis(4-chlorphenyl)-1,2-bis(methylthio)ethen (108593-05-1)

Guidance literature:

With dimethyl sulfate; In methanol; electrolysis: Pd-cat.;

Reference yield: 4.0%

methyl 4-chlorobenzenecarbodithioate (5990-17-0) + dimethyl sulfate (77-78-1) → (4-Chlorphenyl)bis(methylthio)methan (61094-67-5) + (E)-1,2-Bis(4-chlorphenyl)-1,2-bis(methylthio)ethen (108593-08-4) + (Z)-1,2-Bis(4-chlorphenyl)-1,2-bis(methylthio)ethen (108593-05-1)

Guidance literature:

In methanol; electrolysis: Pd-cat.;

upstream raw materials:

bromochlorobenzene

methyl methylsulfinylmethyl sulfide

methyl 4-chlorobenzenecarbodithioate

dimethyl sulfate

Downstream raw materials:

1-Chloro-4-(methanesulfonyl-methylsulfanyl-methyl)-benzene

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