Benzyl ethyl sulfide

Base Information

• Chemical Name: Benzyl ethyl sulfide
• CAS No.: 6263-62-3
• Molecular Formula: C9H12 S
• Molecular Weight: 152.26
• European Community (EC) Number: 228-422-2
• NSC Number: 93920
• DSSTox Substance ID: DTXSID40211673
• Nikkaji Number: J43.488D
• Wikidata: Q83086639
• Mol file: 6263-62-3.mol

Synonyms:Benzyl ethyl sulfide;6263-62-3;Benzyl ethyl sulphide;Ethyl benzyl sulfide;ethylsulfanylmethylbenzene;Sulfide, benzyl ethyl;Benzene, [(ethylthio)methyl]-;alpha-(Ethylthio)toluene;1-Phenyl-2-thiabutane;.alpha.-(Ethylthio)toluene;[(Ethylsulfanyl)methyl]benzene;EINECS 228-422-2;Benzene, ((ethylthio)methyl)-;benzyl(ethyl)sulfane;PhCH2SC2H5;SCHEMBL575701;[(Ethylsulfanyl)methyl]benzene #;DTXSID40211673;NSC93920;NSC 93920;NSC-93920;AKOS006230362;FT-0622820

Chemical Property of Benzyl ethyl sulfide

Chemical Property:

• Vapor Pressure: 0.185mmHg at 25°C
• Refractive Index: 1.5493 (estimate)
• Boiling Point: 218.5°C at 760 mmHg
• Flash Point: 78.7°C
• PSA: 25.30000
• Density: 0.996g/cm³
• LogP: 2.93970
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 152.06597156
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

99% ^*data from raw suppliers

BENZYL ETHYL SULPHIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSCC1=CC=CC=C1

Technology Process of Benzyl ethyl sulfide

There total 58 articles about Benzyl ethyl 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: 99.0%

Diethyl disulfide (110-81-6) + benzyl chloride (100-44-7) → benzyl(ethyl)sulfane (6263-62-3)

Guidance literature:

With hydrogenchloride; zinc; In water; at 20 ℃; for 0.5h; Ionic liquid; Inert atmosphere;

DOI:10.1016/j.tet.2011.04.018

Reference yield: 95.0%

(ethylthio)trimethylsilane (5573-62-6) + benzyl bromide (100-39-0) → benzyl(ethyl)sulfane (6263-62-3)

Guidance literature:

With sodium methylate; In tetrahydrofuran; for 0.5h; Ambient temperature;

Reference yield: 93.0%

(ethylthio)trimethylsilane (5573-62-6) + benzyl chloride (100-44-7) → benzyl(ethyl)sulfane (6263-62-3)

Guidance literature:

With sodium methylate; In tetrahydrofuran; for 15.5h; Ambient temperature;

upstream raw materials:

ethyl bromide

sodium benzylmercaptide

diethyl ether

benzyl thiocyanate

Downstream raw materials:

benzyl ethyl sulfone

benzyl ethyl sulfoxide

dibenzyl disulphide

pentylbenzene

Refernces

• 1、 Ichiishi, Naoko,Malapit, Christian A.,Wo?niak, Aukasz,Sanford, Melanie S.. "Palladium- and Nickel-Catalyzed Decarbonylative C-S Coupling to Convert Thioesters to Thioethers". supporting information. p. 44 - 47. Retrieved 2018/01/17.
• 2、 Hendriks, Christine M. M.,Lamers, Philip,Engel, Julien,Bolm, Carsten. "Sulfoxide-to-sulfilimine conversions: Use of modified Burgess-type reagents". supporting information. p. 3363 - 3368. Retrieved 2013/12/04.