1,5-Dimethylcyclohexa-1,3-diene

Base Information

• Chemical Name: 1,5-Dimethylcyclohexa-1,3-diene
• CAS No.: 1453-17-4
• Molecular Formula: C8H12
• DSSTox Substance ID: DTXSID30571692

Synonyms:1,5-Dimethylcyclohexa-1,3-diene;1453-17-4;Dihydro-m-Xylol;DTXSID30571692;1,5-dimethyl-1,3-cyclohexadiene

Chemical Property of 1,5-Dimethylcyclohexa-1,3-diene

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 108.093900383
• Heavy Atom Count: 8
• Complexity: 129

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC(=CC=C1)C

Technology Process of 1,5-Dimethylcyclohexa-1,3-diene

There total 5 articles about 1,5-Dimethylcyclohexa-1,3-diene 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-methyl-2,3,5-heptatriene (69719-45-5) → 5,5-dimethyl-1,3-cyclohexadiene (33482-80-3) + (Z)-6-methyl-1,3,5-heptatriene (64586-03-4,16895-46-8) + 1,5-dimethyl-1,3-cyclohexadiene (1453-17-4)

Guidance literature:

at 360 ℃; under 0.05 - 0.1 Torr; Product distribution; other temp.;

DOI:10.1021/jo00278a010

Reference yield:

5,5-dimethyl-1,3-cyclohexadiene (33482-80-3) → 1,5-dimethyl-1,3-cyclohexadiene (1453-17-4)

Guidance literature:

at 290 - 475 ℃;

DOI:10.1021/jo00972a020

Reference yield:

→ 1,5-dimethyl-1,3-cyclohexadiene (1453-17-4)

Guidance literature:

With diethyl ether; sodium;

upstream raw materials:

5,5-dimethyl-1,3-cyclohexadiene

2-methyl-2,3,5-heptatriene

m-xylene

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