Benzene, 1-(ethylthio)-3-methyl-

Base Information

• Chemical Name: Benzene, 1-(ethylthio)-3-methyl-
• CAS No.: 34786-24-8
• Molecular Formula: C9H12S
• Molecular Weight: 152.26
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10188328
• Nikkaji Number: J100.043H
• Wikidata: Q83060141
• Mol file: 34786-24-8.mol

Synonyms:34786-24-8;1-(Ethylthio)-3-Methylbenzene;Benzene, 1-(ethylthio)-3-methyl-;Ethyl m-tolyl sulfide;Ethyl m-tolylsulfide;ETHYL 3-METHYLPHENYL SULFIDE;SCHEMBL709584;DTXSID10188328;1-(ethylsulfanyl)-3-methylbenzene;AKOS006239535

Chemical Property of Benzene, 1-(ethylthio)-3-methyl-

Chemical Property:

• Vapor Pressure: 0.175mmHg at 25°C
• Melting Point: -45°C (estimate)
• Refractive Index: 1.5570
• Boiling Point: 219.6°C at 760 mmHg
• Flash Point: 85.5°C
• PSA: 25.30000
• Density: 0.99g/cm³
• LogP: 3.10700
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 152.06597156
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

99% ^*data from raw suppliers

1-(ETHYLTHIO)-3-METHYLBENZENE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=CC=CC(=C1)C

Technology Process of Benzene, 1-(ethylthio)-3-methyl-

There total 15 articles about Benzene, 1-(ethylthio)-3-methyl- 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: 85.0%

3,3-bis(benzenesulphonyl)propyl ethyl 3-methylphenyl sulphonium tetrafluoroborate → ethyl 3-methylphenyl sulphide (34786-24-8) + 1,1-bis(benzenesulphonyl)cyclopropane (34782-46-2)

Guidance literature:

With sodium ethanolate; In ethanol; at 20 ℃; for 4h;

Reference yield: 85.0%

5,5-bis(benzenesulphonyl)pentyl ethyl 3-methylphenyl sulphonium tetrafluoroborate → ethyl 3-methylphenyl sulphide (34786-24-8) + 1,1-bis(benzenesulphonyl)cyclopentane (88073-51-2)

Guidance literature:

With sodium ethanolate; In ethanol; at 20 ℃; for 4h;

Reference yield: 69.0%

3-bromo-1-(methylthio)benzene (33733-73-2) + methyl iodide (74-88-4) → ethyl 3-methylphenyl sulphide (34786-24-8)

Guidance literature:

3-bromo-1-(methylthio)benzene; With n-butyllithium; In diethyl ether; hexane; at 0 ℃; for 2h;

methyl iodide; In diethyl ether; hexane; at 0 - 20 ℃; Further stages.;

DOI:10.1016/j.tet.2004.02.069

upstream raw materials:

2-ethoxyquinoline

toluene-3-thiol

ethyl bromide

3-methylthioanisole

Downstream raw materials:

(4-ethylsulfanyl-2-methyl-phenyl)-phenyl-diazene

ethene

3-methylphenyl phenyl sulfide

1-bromo-4-ethanesulfanyl-2-methyl benzene

Refernces

• 1、 Cabiddu, Maria G.,Cabiddu, Salvatore,Cadoni, Enzo,De Montis, Stefania,Fattuoni, Claudia,Melis, Stefana. "Metallation reactions. Part 35: A change of the regiochemistry in the metallation of (alkylthio)arenes". . p. 3915 - 3920. Retrieved 2007/10/03.
• 2、 Benedetti, Fabio,Fabrissin, Silvio,Rusconi, Alessandro,Stirling, Charles J. M.. "TRANSITION STATES IN INTRAMOLECULAR SN2 REACTIONS OF CARBANIONS. THE CLOSURE OF THREE-, FOUR- AND FIVE-MEMBERED RINGS". . p. 233 - 240. Retrieved 2007/10/02.