4-Methylhepta-1,6-diene

Base Information

• Chemical Name: 4-Methylhepta-1,6-diene
• CAS No.: 52713-63-0
• Molecular Formula: C₈H₁₄
• Molecular Weight: 110.199
• DSSTox Substance ID: DTXSID80555982
• Nikkaji Number: J2.209.576E
• Wikidata: Q82437444
• Mol file: 52713-63-0.mol

Synonyms:4-methyl-1,6-heptadiene;4-Methylhepta-1,6-diene;52713-63-0;DTXSID80555982

Chemical Property of 4-Methylhepta-1,6-diene

Chemical Property:

• Boiling Point: 112.9±10.0 °C(Predicted)
• PSA: 0.00000
• Density: 0.729±0.06 g/cm3(Predicted)
• LogP: 2.77470
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 110.109550447
• Heavy Atom Count: 8
• Complexity: 62.1

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC=C)CC=C

Technology Process of 4-Methylhepta-1,6-diene

There total 1 articles about 4-Methylhepta-1,6-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:

C23H38N2O2S → 4-methyl-1,6-heptadiene (52713-63-0) + 3-methyl-methylenecyclopentane (53366-56-6) + trans-1,4-dimethyl-2-methylenecyclopentane + cis-1,4-dimethyl-2-methylenecyclopentane

Guidance literature:

With water; sec.-butyllithium; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) TMEDA, hexane, -78 deg C, 30 min then 0 deg C 2.) TMEDA, hexane;

DOI:10.1021/ja00222a042

Reference yield:

4-methyl-1,6-heptadiene (52713-63-0) + diethylaluminium chloride (96-10-6) → (3-Ethyl-5-methyl-cyclohexyl)-methanol

Guidance literature:

With titanium(IV) isopropylate; oxygen; Yield given. Multistep reaction; 1.) hexane, 22 deg C, 24 h, 2.) hexane, 2 h;

DOI:10.1021/ja00097a073