Benzyl methyl disulfide

Base Information

• Chemical Name: Benzyl methyl disulfide
• CAS No.: 699-10-5
• Molecular Formula: C8H10 S2
• Molecular Weight: 170.299
• Hs Code.: 2930909090
• European Community (EC) Number: 211-826-8
• NSC Number: 677547
• UNII: Q451CNJ59W
• DSSTox Substance ID: DTXSID1061021
• Nikkaji Number: J87.555D
• Wikidata: Q27286977
• Metabolomics Workbench ID: 49100
• ChEMBL ID: CHEMBL95973
• Mol file: 699-10-5.mol

Synonyms:Benzyl methyl disulfide;699-10-5;Methyl benzyl disulfide;(methyldisulfanyl)methylbenzene;Disulfide, methyl phenylmethyl;Benzyldithiomethane;Benzyl methyl disulphide;DISULFIDE, BENZYL METHYL;Methyl phenylmethyl disulfide;[(Methyldisulfanyl)methyl]benzene;FEMA No. 3504;EINECS 211-826-8;NSC 677547;NSC-677547;BRN 2079563;UNII-Q451CNJ59W;Q451CNJ59W;NSC677547;4-06-00-02759 (Beilstein Handbook Reference);benzylmethyl disulfide;Methyl benzyl persulfide;methyldisulfanylmethylbenzene;(methyldisulanyl)methylbenzene;CHEMBL95973;SCHEMBL576610;METHYL BENZYL DISULPHIDE;DTXSID1061021;FEMA 3504;CHEBI:173775;Methyl phenylmethyl disulfide, 9CI;[(Methyldisulfanyl)methyl]benzene #;AKOS006283054;METHYL BENZYL DISULFIDE [FHFI];LS-2903;FT-0656683;2-BIPHENYL-3,5-DICHLORO-CARBOXYLICACID;A836696;W-104578;Q27286977

Chemical Property of Benzyl methyl disulfide

Chemical Property:

• Vapor Pressure: 0.00847mmHg at 25°C
• Refractive Index: 1.6210 (estimate)
• Boiling Point: 275.6oC at 760 mmHg
• Flash Point: 140.9oC
• PSA: 50.60000
• Density: 1.133g/cm3
• LogP: 3.19780
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.02239267
• Heavy Atom Count: 10
• Complexity: 77.3

Purity/Quality:

98% ^*data from raw suppliers

Benzyl methyldisulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSSCC1=CC=CC=C1

Technology Process of Benzyl methyl disulfide

There total 23 articles about Benzyl methyl disulfide 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: 86.0%

phenylmethanethiol (100-53-8) + 2-methylpropanedithioperoxy acid methyl ester (118087-46-0) → 1-benzyl-2-methyldisulfide (699-10-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In pentane; for 1h; Ambient temperature;

DOI:10.1055/s-1994-25563

Reference yield: 83.0%

dibenzyl disulphide (150-60-7) + Dimethyldisulphide (624-92-0) → 1-benzyl-2-methyldisulfide (699-10-5)

Guidance literature:

With sodium benzylmercaptide; In dimethyl sulfoxide; at 20 ℃; for 48h;

DOI:10.1071/CH03253

Reference yield: 83.0%

Dimethyldisulphide (624-92-0) + phenylmethanethiol (100-53-8) → 1-benzyl-2-methyldisulfide (699-10-5)

Guidance literature:

With palladium dichloride; In dimethyl sulfoxide; at 80 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.orglett.1c00858

upstream raw materials:

methylthiol

acetyl benzyl disulfide

tetraethylammonium dithiobenzoate

1-H-1,3-benzimidazol-2-yl methyl sulfoxide

Downstream raw materials:

ethylbenzene

1,1'-(1,2-ethanediyl)bisbenzene

toluene

Refernces

• 1、 Hu, Qingyue,Li, Zheng-Yi,Song, Mengjie,Sun, Xiaoqiang,Yang, Ke. "NFSI-catalyzed S[sbnd]S bond exchange reaction for the synthesis of unsymmetrical disulfides". supporting information. . Retrieved 2022/01/26.
• 2、 Yamamoto, Eiji,Kawai, Yasutaka,Takakura, Kei,Kimura, Moemi,Murayama, Haruno,Matsueda, Hironobu,Otsuki, Shujiro,Sakata, Hiroshi,Tokunaga, Makoto. "Convenient Unsymmetrical Disulfane Synthesis: Basic Zeolite-Catalyzed Thiol-Disulfane Exchange Reaction". . p. 4694 - 4699. Retrieved 2021/10/14.