(5E)-3-methylhepta-1,5-diene

Base Information

• Chemical Name: (5E)-3-methylhepta-1,5-diene
• CAS No.: 4894-62-6
• Molecular Formula: C8H14
• Molecular Weight: 110.199
• Nikkaji Number: J125.067A,J125.068J,J798.160K
• Mol file: 4894-62-6.mol

Synonyms:3-Methyl-1,5-heptadiene;1,5-Heptadiene, 3-methyl-;4894-62-6;(5E)-3-methylhepta-1,5-diene;50592-72-8;trans-3-Methyl-1,5-heptadiene;50763-51-4;1,5-Heptadiene, 3-methyl-, (Z)-;(E)-3-methylhepta-1,5-diene;QIWJMWAOAINRPL-GQCTYLIASA-N;(5E)-3-Methyl-1,5-heptadiene;NSC 51707;AKOS006271482;1,5-Heptadiene, 3-methyl-, (E)-

Chemical Property of (5E)-3-methylhepta-1,5-diene

Chemical Property:

• Vapor Pressure: 26.6mmHg at 25°C
• Boiling Point: 111.6°Cat760mmHg
• Flash Point: 9.3°C
• Density: 0.736g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 110.109550447
• Heavy Atom Count: 8
• Complexity: 80

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (5E)-3-methylhepta-1,5-diene

There total 4 articles about (5E)-3-methylhepta-1,5-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:

diethyl ether (60-29-7,927820-24-4) + 3-bromo-1-butene (22037-73-6) + (E)-1-Bromo-2-butene (4784-77-4,39616-19-8,29576-14-5) + ethylmagnesium bromide (925-90-6) → 3-methyl-1-pentene (760-20-3,13643-02-2) + 2,6-octadiene (4974-27-0) + 3-methylhepta-1,5-diene (4894-62-6) + 2-hexene (592-43-8)

Guidance literature:

Reference yield:

n-butyllithium (109-72-8,29786-93-4) + 2-chloro-3-butene (563-52-0,35729-37-4) + diethyl ether (60-29-7,927820-24-4) + trans-but-2-enyl chloride (4894-61-5) → 2-octene (111-67-1) + 3-methylhepta-1,5-diene (4894-62-6) + 3-methyl-1-heptene (4810-09-7)

Guidance literature:

DOI:10.1021/ja01146a094

Reference yield:

bis(but-2-enyl)zinc (7544-41-4,80534-81-2) → 2,6-octadiene (4974-27-0) + 3-methylhepta-1,5-diene (4894-62-6) + 3,4-Dimethyl-hexen-(1) (16745-94-1) + meso-3,4-dimethylhexa-1,5-diene (4894-63-7)

Guidance literature:

at 100 ℃; for 0.166667h; Yield given. Yields of byproduct given;

DOI:10.1016/S0022-328X(00)81023-2

upstream raw materials:

n-butyllithium

2-chloro-3-butene

diethyl ether

trans-but-2-enyl chloride

Downstream raw materials:

3-methylheptane

formic acid

2-methylbutanedioic acid

acetic acid