1-Methyl-4-[(prop-1-en-1-yl)sulfanyl]benzene

Base Information

• Chemical Name: 1-Methyl-4-[(prop-1-en-1-yl)sulfanyl]benzene
• CAS No.: 39815-00-4
• Molecular Formula: C10H12S
• Molecular Weight: 164.271
• DSSTox Substance ID: DTXSID00709849
• Mol file: 39815-00-4.mol

Synonyms:39815-00-4;1-Methyl-4-[(prop-1-en-1-yl)sulfanyl]benzene;DTXSID00709849

Chemical Property of 1-Methyl-4-[(prop-1-en-1-yl)sulfanyl]benzene

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 164.06597156
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CSC1=CC=C(C=C1)C

Technology Process of 1-Methyl-4-[(prop-1-en-1-yl)sulfanyl]benzene

There total 12 articles about 1-Methyl-4-[(prop-1-en-1-yl)sulfanyl]benzene 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: 51.0%

<(etoxycarbonyl)(4-methylphenylsulfinyl)methylene>triphenylphosphorane (161573-74-6) → ethyl p-tolyl sulfide (622-63-9) + 4-methylphenyl prop-1-enyl sulfide (39815-00-4)

Guidance literature:

at 500 - 600 ℃; for 2.77778E-06h; under 0.01 Torr;

DOI:10.1039/c39940000805

Reference yield:

<(etoxycarbonyl)(4-methylphenylsulfinyl)methylene>triphenylphosphorane (161573-74-6) → ethyl p-tolyl sulfide (622-63-9) + di(p-tolyl) disulfide (103-19-5) + O-ethyl 4-methylbenzenecarbothioate (26028-04-6) + 4-methylphenyl prop-1-enyl sulfide (39815-00-4)

Guidance literature:

at 600 ℃; under 0.001 - 0.1 Torr; Title compound not separated from byproducts;

Reference yield:

allyl (p-tolyl)sulfide (1516-28-5) → seq.cis-Propenyl-p-tolyl-sulfid (39815-00-4) + trans-propenyl-p-tolyl sulfide (39815-00-4)

Guidance literature:

With potassium tert-butylate; In tert-butyl methyl ether; at 100 ℃; for 6h; Overall yield = 85 percentChromat.; stereoselective reaction; Inert atmosphere; Sealed tube; Glovebox;

DOI:10.1016/j.tetlet.2020.152278

upstream raw materials:

ethanol

allyl (p-tolyl)sulfide

sodium ethanolate

<(etoxycarbonyl)(4-methylphenylsulfinyl)methylene>triphenylphosphorane

Downstream raw materials:

(E)-1-propenyl p-tolyl sulfoxide

(Z)-Propenyl-p-tolyl-vinyl-sulfoxid