[(2,4-Dimethylpent-3-en-2-yl)sulfanyl]benzene

Base Information

• Chemical Name: [(2,4-Dimethylpent-3-en-2-yl)sulfanyl]benzene
• CAS No.: 61499-90-9
• Molecular Formula: C13H18S
• Molecular Weight: 206.352
• DSSTox Substance ID: DTXSID30569559
• Mol file: 61499-90-9.mol

Synonyms:61499-90-9;[(2,4-Dimethylpent-3-en-2-yl)sulfanyl]benzene;DTXSID30569559

Chemical Property of [(2,4-Dimethylpent-3-en-2-yl)sulfanyl]benzene

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 206.11292175
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of [(2,4-Dimethylpent-3-en-2-yl)sulfanyl]benzene

There total 4 articles about [(2,4-Dimethylpent-3-en-2-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:

2,4-dimethyl-3-penten-2-ol (56763-70-3) + thiophenol (108-98-5) → 2,4-dimethyl-4-(phenylthio)-2-pentene (61499-90-9)

Guidance literature:

With hydrogenchloride; In diethyl ether; for 1h; Yield given; Ambient temperature;

DOI:10.1021/ja00049a044

Reference yield:

N,N-dimethyl-1-naphthalenamine (86-56-6,112790-02-0,651316-60-8) + C7H13Li*C6H16N2 → 2,4-dimethyl-4-(phenylthio)-2-pentene (61499-90-9) + 5,6-dihydro-N,N-dimethyl-5-(1',1',3'-trimethyl-2'-butenyl)naphthaleneamine (144493-28-7) + 5,8-dihydro-N,N-dimethyl-5-(1',1',3'-trimethyl-2'-butenyl)naphthaleneamine (144493-29-8)

Guidance literature:

In tetrahydrofuran; diethyl ether; at -78 ℃; for 2h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/ja00049a044

Reference yield:

naphthalene (91-20-3,71998-51-1,72931-45-4) + C7H13Li*C6H16N2 → 2,4-dimethyl-4-(phenylthio)-2-pentene (61499-90-9) + 1,4-dihydro-1-(1',1',3'-trimethyl-2'-butenyl)naphthalene (144493-26-5) + 1,2-dihydro-1-(1',1',3'-trimethyl-2'-butenyl)naphthalene (144493-27-6)

Guidance literature:

In tetrahydrofuran; diethyl ether; at -78 ℃; for 2h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/ja00049a044

upstream raw materials:

naphthalene

N,N-dimethyl-1-naphthalenamine

methyl magnesium iodide

4-methyl-pent-3-en-2-one

Downstream raw materials:

2,2,4-Trimethyl-pent-3-ensaeure