(4E)-2,3-dimethylhexa-1,4-diene

Base Information

• Chemical Name: (4E)-2,3-dimethylhexa-1,4-diene
• CAS No.: 18669-52-8
• Molecular Formula: C₈H₁₄
• Molecular Weight: 110.199
• Hs Code.: 2901299090
• Nikkaji Number: J110.376H
• Wikidata: Q27159701
• Mol file: 18669-52-8.mol

Synonyms:(4E)-2,3-dimethylhexa-1,4-diene;2,3-DIMETHYL-1,4-HEXADIENE;18669-52-8;1,4-Hexadiene, 2,3-dimethyl-;CHEBI:87530;QGDVKFLWAVKNAA-AATRIKPKSA-N;(4E)-2,3-Dimethyl-1,4-hexadiene;(4E)-2,3-Dimethyl-1,4-hexadiene #;Q27159701

Chemical Property of (4E)-2,3-dimethylhexa-1,4-diene

Chemical Property:

• Vapor Pressure: 24mmHg at 25°C
• Boiling Point: 114.1°C at 760 mmHg
• Flash Point: 10.5°C
• PSA: 0.00000
• Density: 0.737g/cm³
• LogP: 2.77470
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 110.109550447
• Heavy Atom Count: 8
• Complexity: 98.6

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CC=CC(C)C(=C)C
• Isomeric SMILES: C/C=C/C(C)C(=C)C

Technology Process of (4E)-2,3-dimethylhexa-1,4-diene

There total 12 articles about (4E)-2,3-dimethylhexa-1,4-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-bromomethyl-3-methyl-hexa-1,4-diene (18669-51-7) → 2,3-Dimethyl-1,4-hexadien (18669-52-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3.5h; Heating;

Reference yield:

(2,3-dimethyl-hex-4-enyl)-dimethyl-amine (20929-32-2) → 2,3-Dimethyl-1,4-hexadien (18669-52-8)

Guidance literature:

With dihydrogen peroxide; In methanol;

Reference yield:

3-methyl-2-methylene-hex-4-en-1-ol (18669-48-2) → 2,3-Dimethyl-1,4-hexadien (18669-52-8)

Guidance literature:

Multi-step reaction with 2 steps

1: PBr₃ / petroleum ether

2: LiAlH₄ / diethyl ether / 3.5 h / Heating

With lithium aluminium tetrahydride; phosphorus tribromide; In diethyl ether; Petroleum ether;

upstream raw materials:

2-bromomethyl-3-methyl-hexa-1,4-diene

(2,3-dimethyl-hex-4-enyl)-dimethyl-amine

3-methyl-2-methylene-hex-4-en-1-ol

2-bromopent-3-ene

Downstream raw materials:

(E)-2,3-Dimethyl-2,4-hexadiene

Refernces