Benzyl methyl sulfide

Base Information

• Chemical Name: Benzyl methyl sulfide
• CAS No.: 766-92-7
• Molecular Formula: C8H10S
• Molecular Weight: 138.233
• Hs Code.: 29309090
• European Community (EC) Number: 212-174-7
• NSC Number: 75125
• UNII: Y3900RBK51
• DSSTox Substance ID: DTXSID1061106
• Nikkaji Number: J43.487F
• Wikidata: Q27294208
• Metabolomics Workbench ID: 44813
• Mol file: 766-92-7.mol

Synonyms:Benzyl methyl sulfide;766-92-7;Methyl benzyl sulfide;Benzyl methyl sulphide;Benzyl(methyl)sulfane;methylsulfanylmethylbenzene;Sulfide, benzyl methyl;1-Phenyl-2-thiapropane;Benzene, [(methylthio)methyl]-;alpha-(Methylthio)toluene;((METHYLTHIO)METHYL)BENZENE;FEMA No. 3597;[(Methylsulfanyl)methyl]benzene;Benzene, ((methylthio)methyl)-;benzylmethylsulfide;.alpha.-(Methylthio)toluene;NSC 75125;Methylthiomethylbenzene;EINECS 212-174-7;UNII-Y3900RBK51;Y3900RBK51;NSC-75125;((methylthio)methyl)-Benzene;[(methylthio)methyl]-Benzene;Benzylmethylsulphide;Benzyl metyl sulfide;methylsulanylmethylbenzene;methylsulfanyl-methyl-benzene;SCHEMBL87756;phenylmethylsulfonium methylide;SCHEMBL2683249;Sulfide, benzyl methyl (8CI);DTXSID1061106;FEMA 3597;CHEBI:192308;[(Methylsulfanyl)methyl]benzene #;[(Methylthio)methyl]benzene, 9CI;NSC75125;BENZYL METHYL SULFIDE [FHFI];MFCD00008563;AKOS015899702;BENZYL METHYL SULFIDE [USP-RS];LS-2581;AS-81520;PTF;B0992;CS-0322476;FT-0622774;D88728;3-(tetrahydro-furan-3-yl)-propionicacidethylester;A838799;Q27294208

Chemical Property of Benzyl methyl sulfide

Chemical Property:

• Appearance/Colour: clear colourless to pale yellow liquid
• Vapor Pressure: 0.507mmHg at 25°C
• Melting Point: -28 °C
• Refractive Index: n20/D 1.562(lit.)
• Boiling Point: 198.4 °C at 760 mmHg
• Flash Point: 73.3 °C
• PSA: 25.30000
• Density: 1.014 g/cm³
• LogP: 2.54960
• Water Solubility.: Insoluble in water
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 138.05032149
• Heavy Atom Count: 9
• Complexity: 65

Purity/Quality:

99% ^*data from raw suppliers

Benzyl Methyl Sulfide >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CSCC1=CC=CC=C1
• Recent EU Clinical Trials: Efecto de la combinación estatinas-aspirina versus estatinas-pentoxifilina sobre la lesión aterosclerótica en pacientes con enfermedad renal crónica.

Technology Process of Benzyl methyl sulfide

There total 91 articles about Benzyl 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: 94.0%

racemic methyl phenyl sulfoxide (1193-82-4) + C14H14O2Zn*2MgBr2*LiBr + benzyl bromide (100-39-0) → [(methylthio)methyl]-benzene (766-92-7) + 4-methoxylbiphenyl (613-37-6) + 4,4'-Dimethoxybiphenyl (2132-80-1)

Guidance literature:

racemic methyl phenyl sulfoxide; C₁₄H₁₄O₂Zn*2MgBr₂*LiBr; With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In tetrahydrofuran; at 80 ℃; for 0.0833333h;

benzyl bromide; at 60 ℃; for 0.5h;

DOI:10.1021/acscatal.7b02347

Reference yield: 72.0%

2-methylsulfanyl-benzoxazole (13673-62-6) + benzyl alcohol (100-51-6,185532-71-2) → 2-Benzoxazolinone (59-49-4) + [(methylthio)methyl]-benzene (766-92-7)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; 1.) room temp., 30 min, 2.) 80 deg C, 1 h;

DOI:10.1055/s-1982-30043

Reference yield: 70.0%

S-methyl O-benzyl dithiocarbonate (28925-45-3) → Dimethyldisulphide (624-92-0) + [(methylthio)methyl]-benzene (766-92-7) + benzyl bromide (100-39-0)

Guidance literature:

With copper(ll) bromide; In acetonitrile; for 5.7h; Ambient temperature;

DOI:10.1021/jo00340a028

upstream raw materials:

methyl bromide

sodium benzylmercaptide

chloro-methylsulfanyl-methane

potassium methyl sulfate

Downstream raw materials:

methyl thiocyanate

benzyl bromide

benzyl-methyl-phenacyl sulfonium ; bromide

p-benzylanizole

Refernces

• 1、 Chattopadhyay, Buddhadeb,Hassan, Mirja Md Mahamudul,Hoque, Md Emdadul. "Remarkably Efficient Iridium Catalysts for Directed C(sp2)-H and C(sp3)-H Borylation of Diverse Classes of Substrates". supporting information. p. 5022 - 5037. Retrieved 2021/05/04.
• 2、 Nishiyama, Yoshitake,Hosoya, Takamitsu,Yoshida, Suguru. "Synthesis of benzyl sulfidesviasubstitution reaction at the sulfur of phosphinic acid thioesters". supporting information. p. 5771 - 5774. Retrieved 2020/06/03.