Allyl(benzyl)sulfide

Base Information

• Chemical Name: Allyl(benzyl)sulfide
• CAS No.: 6937-97-9
• Molecular Formula: C10H12S
• Molecular Weight: 164.271
• NSC Number: 29051
• DSSTox Substance ID: DTXSID40282989
• Nikkaji Number: J283.974A
• Wikidata: Q82017404
• Mol file: 6937-97-9.mol

Synonyms:6937-97-9;Allyl(benzyl)sulfide;NSC 29051;NSC29051;allyl benzyl sulfide;benzyl allyl sulfide;3-(Benzylthio)propene;Allylsulfanylmethyl-benzene;[(Allylsulfanyl)methyl]benzene;SCHEMBL1121965;[(Allylsulfanyl)methyl]benzene #;DTXSID40282989;Benzene, [(2-propenylthio)methyl]-;NSC-29051

Chemical Property of Allyl(benzyl)sulfide

Chemical Property:

• Vapor Pressure: 0.0621mmHg at 25°C
• Boiling Point: 239.4°Cat760mmHg
• Flash Point: 91.3°C
• Density: 0.999g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 164.06597156
• Heavy Atom Count: 11
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCSCC1=CC=CC=C1

Technology Process of Allyl(benzyl)sulfide

There total 38 articles about Allyl(benzyl)sulfide 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: 97.0%

allyl methyl carbonate (35466-83-2) + phenylmethanethiol (100-53-8) → allyl(benzyl)sulfide (6937-97-9)

Guidance literature:

With chloro(1,5-cyclooctadiene)(pentamethylcyclopentadiene)ruthenium(II); In acetonitrile; at 20 ℃; for 1h;

DOI:10.1021/ja991704f

Reference yield: 93.0%

2-propenyl benzyl sulfoxide (13284-96-3) → allyl(benzyl)sulfide (6937-97-9)

Guidance literature:

With iodine; sodium hydrogensulfite; In chloroform; at 20 ℃; for 4h; Temperature;

DOI:10.1016/j.tetlet.2015.10.035

Reference yield: 92.0%

phenylmethanethiol (100-53-8) + 3-chloroprop-1-ene (107-05-1) → allyl(benzyl)sulfide (6937-97-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/ja8026168

upstream raw materials:

allyl bromide

phenylmethanethiol

sodium benzylmercaptide

3-chloroprop-1-ene

Downstream raw materials:

benzyl thiocyanate

benzyl bromide

N-allyl isothiocyanate

(2-Benzylsulfanyl-1-methyl-ethyl)-phenyl-amine

Refernces

• 1、 Dutta, Shubham,Gandon, Vincent,Gogoi, Manash Protim,Mallick, Rajendra K.,Prabagar, B.,Sahoo, Akhila K.,Vanjari, Rajeshwer,Yang, Shengwen. "Yb(iii)-catalysedsyn-thioallylation of ynamides". supporting information. p. 7521 - 7524. Retrieved 2021/08/05.
• 2、 Zhou, Cong-Ying,Yan, Sijia,Rao, Junxin. "Chemoselective rearrangement reactions of sulfur ylide derived from diazoquinones and allyl/propargyl sulfides". supporting information. p. 9091 - 9096. Retrieved 2020/12/02.