Benzene, [(1-methyl-5-hexenyl)thio]-

Base Information

• Chemical Name: Benzene, [(1-methyl-5-hexenyl)thio]-
• CAS No.: 477482-11-4
• Molecular Formula: C13H18S
• Molecular Weight: 206.352
• DSSTox Substance ID: DTXSID70478858
• Nikkaji Number: J2.311.497F
• Mol file: 477482-11-4.mol

Synonyms:Benzene, [(1-methyl-5-hexenyl)thio]-;477482-11-4;DTXSID70478858

Chemical Property of Benzene, [(1-methyl-5-hexenyl)thio]-

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 206.11292175
• Heavy Atom Count: 14
• Complexity: 147

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC=C)SC1=CC=CC=C1

Technology Process of Benzene, [(1-methyl-5-hexenyl)thio]-

There total 1 articles about Benzene, [(1-methyl-5-hexenyl)thio]- 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: 93.0%

1,1-bis(phenylthio)ethane (13307-56-7) + bromopentene (1119-51-3) → 6-phenylthio-1-heptene (477482-11-4)

Guidance literature:

1,1-bis(phenylthio)ethane; With lithium 1-(dimethylamino)naphthalenide; for 0.166667h; cooling;

bromopentene; at -78 - -20 ℃; for 2.5h;

DOI:10.1021/jo052535m

Reference yield: 89.0%

4,4'-dimethoxyphenyl disulfide (5335-87-5) + 6-phenylthio-1-heptene (477482-11-4) → trans-2-(methylcyclopentylmethylthio)-4-methoxybenzene

Guidance literature:

6-phenylthio-1-heptene; With 4,4'-di(tert-butyl)-[1,1-biphenyl]yllithium; In tetrahydrofuran; at -78 ℃; for 0.166667h;

4,4'-dimethoxyphenyl disulfide; In tetrahydrofuran;

DOI:10.1021/jo052535m

Reference yield: 81.0%

carbon dioxide (124-38-9,18923-20-1) + 6-phenylthio-1-heptene (477482-11-4) → (trans-2-methylcyclopentyl)acetic acid (116530-98-4,148962-89-4,148962-90-7)

Guidance literature:

6-phenylthio-1-heptene; With 4,4'-di(tert-butyl)-[1,1-biphenyl]yllithium; In tetrahydrofuran; at -78 ℃; for 0.25h;

carbon dioxide; In tetrahydrofuran; for 1h; cooling;

DOI:10.1021/jo052535m

upstream raw materials:

1,1-bis(phenylthio)ethane

bromopentene

Downstream raw materials:

(trans-2-methylcyclopentyl)acetic acid