2-Methyl-1,5-heptadiene

Base Information

• Chemical Name: 2-Methyl-1,5-heptadiene
• CAS No.: 6766-54-7
• Molecular Formula: C8H14
• Molecular Weight: 110.199
• Hs Code.: 2901299090
• European Community (EC) Number: 808-133-3
• Nikkaji Number: J124.989D,J124.990H,J235.973A
• Wikidata: Q76085464
• Mol file: 6766-54-7.mol

Synonyms:2-METHYL-1,5-HEPTADIENE;6766-54-7;41044-63-7;(5E)-2-methylhepta-1,5-diene;trans-2-Methyl-1,5-heptadiene;(5E)-2-Methyl-1,5-heptadiene;1,5-Heptadiene, 2-methyl-, (E)-;2,6-dimethyl-1,5-hexadiene;(E)-2-methylhepta-1,5-diene;LXKRFDPUBWVICN-SNAWJCMRSA-N;2-Methyl-1,5-heptadiene (c,t);MFCD00059240;(S)-(-)-METHYLP-TOLYLSULFOXIDE;T72820

Chemical Property of 2-Methyl-1,5-heptadiene

Chemical Property:

• Refractive Index: 1.4280 to 1.4320
• Boiling Point: 118oC
• Flash Point: 14°C(lit.)
• PSA: 0.00000
• Density: 0.74 g/cm3
• LogP: 2.91880
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 110.109550447
• Heavy Atom Count: 8
• Complexity: 88.2

Purity/Quality:

99%min ^*data from raw suppliers

2-Methyl-1,5-heptadiene (cis- and trans- mixture) ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 9-16-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCCC(=C)C
• Isomeric SMILES: C/C=C/CCC(=C)C

Technology Process of 2-Methyl-1,5-heptadiene

There total 2 articles about 2-Methyl-1,5-heptadiene 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: 33.0%

{(η3-crotyl)2nickel} + 3-Chloro-2-methylpropene (563-47-3) → 2,5-dimethyl-1,5-hexadiene (627-58-7) + 2,6-octadiene (4974-27-0) + 2-methyl-1,5-heptadiene (6766-54-7) + 2,4-dimethylhexa-1,5-diene (68701-71-3) + meso-3,4-dimethylhexa-1,5-diene (4894-63-7)

Guidance literature:

In diethyl ether; 2.1 h in an argon atmosphere; gas-liquid chromy.;

Reference yield: 8.0%

bis(η3-2-methylallyl)nickel + crotonyl chloride (10487-71-5) → 2,5-dimethyl-1,5-hexadiene (627-58-7) + 2,6-octadiene (4974-27-0) + 2-methyl-1,5-heptadiene (6766-54-7) + 2,4-dimethylhexa-1,5-diene (68701-71-3) + meso-3,4-dimethylhexa-1,5-diene (4894-63-7)

Guidance literature:

In diethyl ether; 3.6 h in an argon atmosphere; gas-liquid chromy.;

Reference yield:

2-methyl-1,5-heptadiene (6766-54-7) → 2-methylheptane (592-27-8)

Guidance literature:

Hydrogenation;

upstream raw materials:

crotonyl chloride

3-Chloro-2-methylpropene

Downstream raw materials:

2-methylheptane

formic acid

4-oxopentanal

acetaldehyde