2-Methyl-1,3,5-hexatriene

Base Information

• Chemical Name: 2-Methyl-1,3,5-hexatriene
• CAS No.: 41233-72-1
• Molecular Formula: C₇H₁₀
• Molecular Weight: 94.1564
• Nikkaji Number: J125.203H
• Mol file: 41233-72-1.mol

Synonyms:2-Methyl-1,3,5-hexatriene;1,3,5-Hexatriene, 2-methyl-;(3E)-2-methylhexa-1,3,5-triene;1,3,5-Hexatriene, 2-methyl-, (E)-;19264-50-7;41233-72-1;PPWGXYXJMQAWSX-AATRIKPKSA-N;trans-2-methyl-1,3,5-hexatriene;(3E)-2-methyl-hexa-1,3,5-triene;(3E)-2-Methyl-1,3,5-hexatriene #

Chemical Property of 2-Methyl-1,3,5-hexatriene

Chemical Property:

• Vapor Pressure: 31.2mmHg at 25°C
• Boiling Point: 107.8°Cat760mmHg
• Flash Point: 2.1°C
• Density: 0.737g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 94.078250319
• Heavy Atom Count: 7
• Complexity: 96.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methyl-1,3,5-hexatriene

There total 5 articles about 2-Methyl-1,3,5-hexatriene 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:

5-methyl-1,5-hexadiene-3-ol (17123-61-4) → trans-2-Methyl-1,3,5-Hexatrien (41233-72-1)

Guidance literature:

Multi-step reaction with 2 steps

1: PBr₃ / diethyl ether / 15 h

2: (i) PhCH₂NMe₂, benzene-1,4-diol, toluene, (ii) aq. NaOH

With phosphorus tribromide; In diethyl ether;

DOI:10.1021/jo01044a021

Reference yield:

2-methylhexa-1,5-dien-3-ol (17123-60-3) → trans-2-Methyl-1,3,5-Hexatrien (41233-72-1)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; methyltriphenoxyphosphonium iodide;

Reference yield:

4-bromo-2-methyl-hexa-1,5-diene (61539-79-5) → trans-2-Methyl-1,3,5-Hexatrien (41233-72-1)

Guidance literature:

Multistep reaction; (i) PhCH₂NMe₂, benzene-1,4-diol, toluene, (ii) aq. NaOH;

DOI:10.1021/jo01044a021

upstream raw materials:

2-methylhexa-1,5-dien-3-ol

4-bromo-2-methyl-hexa-1,5-diene

(Z)-2-methyl-1,3,5-hexatriene

5-methyl-1,5-hexadiene-3-ol