((((Benzylthio)methyl)thio)methyl)benzene

Base Information

• Chemical Name: ((((Benzylthio)methyl)thio)methyl)benzene
• CAS No.: 4431-79-2
• Molecular Formula: C15H16S2
• Molecular Weight: 260.424
• Hs Code.: 2930909090
• NSC Number: 122359
• DSSTox Substance ID: DTXSID50196129
• Nikkaji Number: J2.148.165C
• Wikidata: Q83069219
• Mol file: 4431-79-2.mol

Synonyms:((((Benzylthio)methyl)thio)methyl)benzene;4431-79-2;benzylsulfanylmethylsulfanylmethylbenzene;Bis(benzylthio)methane;NSC122359;NSC 122359;({[(benzylthio)methyl]thio}methyl)benzene;Bis(benzylsulfanyl)methane;SCHEMBL8541503;DTXSID50196129;NSC-122359;[(phenylmethylthio)methylthio]methylbenzene;(phenylmethylsulfanyl)methylsulfanylmethylbenzene;A826758;AB-131/42301090

Chemical Property of ((((Benzylthio)methyl)thio)methyl)benzene

Chemical Property:

• Boiling Point: 386.8oC at 760 mmHg
• Flash Point: 188.2oC
• PSA: 50.60000
• Density: 1.145g/cm3
• LogP: 4.81070
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 260.06934286
• Heavy Atom Count: 17
• Complexity: 161

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSCSCC2=CC=CC=C2

Technology Process of ((((Benzylthio)methyl)thio)methyl)benzene

There total 19 articles about ((((Benzylthio)methyl)thio)methyl)benzene 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: 89.0%

Chloroiodomethane (593-71-5) + S-benzyl phenyl-methanethiosulfonate (16601-40-4) + phenylmethanethiol (100-53-8) → bis(benzylthio)methane (4431-79-2)

Guidance literature:

Chloroiodomethane; S-benzyl phenyl-methanethiosulfonate; In tetrahydrofuran; at -78 ℃; for 0.0833333h; Inert atmosphere;

With methyllithium lithium bromide; In tetrahydrofuran; diethyl ether; for 1h; Inert atmosphere;

phenylmethanethiol; With sodium iodide; In tetrahydrofuran; diethyl ether; N,N-dimethyl-formamide; at 0 - 20 ℃; for 6h; chemoselective reaction; Inert atmosphere;

DOI:10.1039/d0cc04896h

Reference yield: 84.0%

carbon dioxide (124-38-9,18923-20-1) + phenylmethanethiol (100-53-8) → bis(benzylthio)methane (4431-79-2)

Guidance literature:

carbon dioxide; phenylmethanethiol; With sodium tetrahydroborate; In 1,4-dioxane; at 80 ℃; for 0.5h;

With iodine; In 1,4-dioxane; at 100 ℃; for 24h; Sealed tube;

Reference yield: 83.0%

phenylmethanethiol (100-53-8) → bis(benzylthio)methane (4431-79-2)

Guidance literature:

With sodium tetrahydroborate; In dichloromethane; at 100 ℃; for 18h; Sealed tube;

upstream raw materials:

benzyl chloromethyl sulfide

(2-benzylsulfanyl-ethyl)-malonic acid diethyl ester

formaldehyd

phenylmethanethiol

Downstream raw materials:

dibenzyl disulphide

benzenesulfonyl chloride

1-dodecylsulfanylmethylbenzene

trans-{PdCl2(μ-bis(benzylthio)methane)}n

Refernces

• 1、 Dethe, Dattatraya H.,Shukla, Manmohan,Dherange, Balu D.. "Sc(OTf)3-Catalyzed Synthesis of Symmetrical Dithioacetals and Bisarylmethanes Using Nitromethane as a Methylene Source". supporting information. p. 5778 - 5782. Retrieved 2020/07/30.