Benzene, [(3-methyl-1,2-pentadienyl)thio]-

Base Information

• Chemical Name: Benzene, [(3-methyl-1,2-pentadienyl)thio]-
• CAS No.: 77084-85-6
• Molecular Formula: C12H14S
• Molecular Weight: 190.309
• DSSTox Substance ID: DTXSID10460136
• Nikkaji Number: J1.907.979A

Synonyms:77084-85-6;Benzene, [(3-methyl-1,2-pentadienyl)thio]-;DTXSID10460136

Chemical Property of Benzene, [(3-methyl-1,2-pentadienyl)thio]-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 190.08162162
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, [(3-methyl-1,2-pentadienyl)thio]-

There total 2 articles about Benzene, [(3-methyl-1,2-pentadienyl)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: 90.0%

1-Phenylsulfinyl-3-methyl-1,2-pentadien (37605-44-0) → 3-methylpenta-1,2-dienyl phenyl sulfide (77084-85-6)

Guidance literature:

With pyridine; tetraphosphorus decasulfide; In dichloromethane; at 20 ℃;

DOI:10.1021/jo049593c

Reference yield:

meparfynol (77-75-8) → 3-methylpenta-1,2-dienyl phenyl sulfide (77084-85-6) + (1-Ethyl-1-methyl-prop-2-ynylsulfanyl)-benzene (77084-86-7)

Guidance literature:

In dichloromethane; at -5 - 20 ℃; for 16h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)92184-1

Reference yield: 86.0%

3-methylpenta-1,2-dienyl phenyl sulfide (77084-85-6) → (Z)-2-bromo-3-methyl-1-(phenylsulfanyl)pent-1-en-3-ol

Guidance literature:

With water; bromine; sodium carbonate; In acetonitrile; at 0 ℃; for 3h;

DOI:10.1021/jo049593c

upstream raw materials:

meparfynol

1-Phenylsulfinyl-3-methyl-1,2-pentadien

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