Allyl methyl sulfide

Base Information

• Chemical Name: Allyl methyl sulfide
• CAS No.: 10152-76-8
• Molecular Formula: C4H8S
• Molecular Weight: 88.1735
• Hs Code.: 29309090
• European Community (EC) Number: 233-422-0
• UNII: V7QI1R316C
• DSSTox Substance ID: DTXSID9064976
• Nikkaji Number: J35.931I
• Wikipedia: Allyl_methyl_sulfide
• Wikidata: Q2652757
• Metabolomics Workbench ID: 45018
• Mol file: 10152-76-8.mol

Synonyms:3-methylthio-1-propene;allyl methyl sulfide;allylmethylsulfide;methyl propenyl sulfide

Chemical Property of Allyl methyl sulfide

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 68.4mmHg at 25°C
• Refractive Index: n20/D 1.4714(lit.)
• Boiling Point: 88.6 °C at 760 mmHg
• Flash Point: 18.3 °C
• PSA: 25.30000
• Density: 0.85 g/cm³
• LogP: 1.53540
• Storage Temp.: 0-6°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 88.03467143
• Heavy Atom Count: 5
• Complexity: 24.8

Purity/Quality:

95% ^*data from raw suppliers

Allyl Methyl Sulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 16-29-33-15

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCC=C

Technology Process of Allyl methyl sulfide

There total 21 articles about Allyl methyl 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: 60.0%

methylthiol (74-93-1) + triethylallyltin (24857-04-3) → 1,3-bis(methylthio)propane (24949-35-7) + allylmethyl sulfide (10152-76-8) + triethyl tin (1+); methanethiolate (994-40-1) + 1,3-Bis-(triaethylstannyl)-propan (16256-96-5) + Triethyl-(3-methylsulfanyl-propyl)-stannane (75875-71-7)

Guidance literature:

at 45 ℃; for 12h; Product distribution; Irradiation;

Reference yield: 51.0%

methylthiol (74-93-1) + triethylallyltin (24857-04-3) → allylmethyl sulfide (10152-76-8) + 1,3-Bis-(triaethylstannyl)-propan (16256-96-5) + Triethyl-(3-methylsulfanyl-propyl)-stannane (75875-71-7)

Guidance literature:

In neat (no solvent); Irradiation (UV/VIS); irradiation (sealed glass ampoule, 45°C, 12 h); fractionation; GLC anal., elem. anal.;

Reference yield: 30.0%

2-(chloromethyl)thiirane (3221-15-6) + methyllithium (917-54-4) → allylmethyl sulfide (10152-76-8)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In diethyl ether; at 0 ℃; Inert atmosphere;

DOI:10.1134/S1070428010120080

upstream raw materials:

allyl bromide

sodium thiomethoxide

3-chloroprop-1-ene

prop-2-ene-1-thiol

Downstream raw materials:

trimethylsulphonium iodide

1,2-dimethoxy-4-(2-propenyl)benzene

butyl 3-methylthio-2-(1-phenylethylamino)-4-pentenoate

butyl 3-methylthio-2-(1-phenylethylamino)-4-pentenoate

Refernces

• 1、 Price,Gillis. "-". . p. 4750,4752. Retrieved 1953.
• 2、 Reisenauer, Hans Peter,Romanski, Jaroslaw,Mloston, Grzegorz,Schreiner, Peter R.. "Matrix isolation and spectroscopic properties of the methylsulfinyl radical CH3(O)S". . p. 9467 - 9469. Retrieved 2013.
• 3、 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.
• 4、 Ma, Qiang-Qiang,Liu, Ting,Adhikary, Anubendu,Zhang, Jie,Krause, Jeanette A.,Guan, Hairong. "Using CS2 to Probe the Mechanistic Details of Decarboxylation of Bis(phosphinite)-Ligated Nickel Pincer Formate Complexes". . p. 4077 - 4082. Retrieved 2017/01/10.