Benzene, [(4-methyl-3-pentenyl)thio]-

Base Information

• Chemical Name: Benzene, [(4-methyl-3-pentenyl)thio]-
• CAS No.: 203632-83-1
• Molecular Formula: C12H16S
• Molecular Weight: 192.325
• DSSTox Substance ID: DTXSID70451267
• Nikkaji Number: J1.856.431I
• Mol file: 203632-83-1.mol

Synonyms:Benzene, [(4-methyl-3-pentenyl)thio]-;203632-83-1;DTXSID70451267;2-Methyl-5-(phenylthio)-2-pentene

Chemical Property of Benzene, [(4-methyl-3-pentenyl)thio]-

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 192.09727168
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCSC1=CC=CC=C1)C

Technology Process of Benzene, [(4-methyl-3-pentenyl)thio]-

There total 2 articles about Benzene, [(4-methyl-3-pentenyl)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: 69.0%

1-bromo-4-methylpent-3-ene (2270-59-9) + thiophenol (108-98-5) → 2-methyl-5-phenylthio-2-pentene (203632-83-1)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 20 ℃;

DOI:10.1021/ja104155f

Reference yield:

1-bromo-4-methylpent-3-ene (2270-59-9) + sodium thiophenolate (930-69-8) → 2-methyl-5-phenylthio-2-pentene (203632-83-1)

Guidance literature:

In methanol;

DOI:10.1021/jo0261808

Reference yield: 75.0%

phenylmagnesium bromide (100-58-3) + 2-methyl-5-phenylthio-2-pentene (203632-83-1) → (E)-(4-methylpenta-1,3-dien-1-yl)benzene (39491-73-1)

Guidance literature:

phenylmagnesium bromide; With bis(1,5-cyclooctadiene)nickel⁽⁰⁾; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride; In tetrahydrofuran; at 0 ℃; for 0.166667h;

2-methyl-5-phenylthio-2-pentene; In tetrahydrofuran; at 0 - 60 ℃; for 6.16667h; optical yield given as %de;

DOI:10.1021/ja104155f

upstream raw materials:

1-bromo-4-methylpent-3-ene

sodium thiophenolate

thiophenol

Downstream raw materials:

(E)-(4-methylpenta-1,3-dien-1-yl)benzene

Phenyl-δ-chlor-δ,δ-dimethylbutyl-sulfid