(E,E)-1,3,5-Heptatriene, 5-methyl-

Base Information

• Chemical Name: (E,E)-1,3,5-Heptatriene, 5-methyl-
• CAS No.: 58434-77-8
• Molecular Formula: C₈H₁₂
• Molecular Weight: 108.183
• Mol file: 58434-77-8.mol

Synonyms:(E,E)-1,3,5-Heptatriene, 5-methyl-;58434-77-8;3-methyl-2,4,6-heptatriene;(E),(E)-CH3CH=C(CH3)CH=CHCH=CH2;1,3,5-Heptatriene, 5-methyl-, (E,E)-

Chemical Property of (E,E)-1,3,5-Heptatriene, 5-methyl-

Chemical Property:

• Vapor Pressure: 9.17mmHg at 25°C
• Boiling Point: 136.3°C at 760 mmHg
• Flash Point: 20.3°C
• Density: 0.758g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 108.093900383
• Heavy Atom Count: 8
• Complexity: 116

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (E,E)-1,3,5-Heptatriene, 5-methyl-

There total 6 articles about (E,E)-1,3,5-Heptatriene, 5-methyl- 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:

dimethylacetylene (503-17-3) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 5-Methyl-1,3,5-heptatrien (58434-77-8) + (2E,4E,6E,8E)-3,8-dimethyldeca-2,4,6,8-tetraene

Guidance literature:

With (η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0); In benzene; at 20 ℃; for 72h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.organomet.7b00801

Reference yield:

(E)-5-methyl-1,5-heptadien-4-ol (62036-50-4) → 5-Methyl-1,3,5-heptatrien (58434-77-8)

Guidance literature:

With potassium hydrogensulfate; under 70 - 100 Torr;

DOI:10.1111/j.1755-6686.2001.tb00160.x

Reference yield:

(2E,5Ξ)-3-methyl-hepta-2,5-dien-4-ol → 5-Methyl-1,3,5-heptatrien (58434-77-8)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 10h; Heating;

upstream raw materials:

(E)-5-methyl-1,5-heptadien-4-ol

2-methylbut-2-enal

dimethylacetylene

buta-1,3-diene