2,4-Heptadiene

Base Information

• Chemical Name: 2,4-Heptadiene
• CAS No.: 628-72-8
• Molecular Formula: C7H12
• Molecular Weight: 96.1723
• NSC Number: 157586
• Nikkaji Number: J144.948F,J95.484E
• Mol file: 628-72-8.mol

Synonyms:2,4-Heptadiene;2,4-Heptadiene, (E,E)-;628-72-8;(E),(E)-CH3CH2CH=CHCH=CHCH3;NSC157586;(E,E)-2,4-Heptadiene;trans-2,trans-4-Heptadiene;(2E,4E)-2,4-Heptadiene;(2E,4E)-2,4-Heptadiene #;XTJLXXCARCJVPJ-TWTPFVCWSA-N;XTJLXXCARCJVPJ-UHFFFAOYSA-N;AKOS006272931;NSC-157586;31357-24-1;2384-94-3

Chemical Property of 2,4-Heptadiene

Chemical Property:

• Vapor Pressure: 30.9mmHg at 25°C
• Melting Point: -105.67°C (estimate)
• Refractive Index: 1.4578
• Boiling Point: 108°C at 760 mmHg
• Flash Point: 1.9°C
• PSA: 0.00000
• Density: 0.732g/cm³
• LogP: 2.52870
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 96.093900383
• Heavy Atom Count: 7
• Complexity: 68.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Heptadiene

There total 8 articles about 2,4-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:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + 4-bromo-2-heptene (22118-57-6) + trimethylamine (75-50-3) → 1,3-heptadiene (1002-26-2) + hepta-2,4-diene (628-72-8) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

und dann Versetzen mit Silber(I)-hydroxid in Wasser und Erhitzen auf 170-180grad,sowie beim Eintragen in 2,4,6-Trimethyl-pyridin bei 165grad;

DOI:10.1021/jo01358a015

Reference yield:

acetone (67-64-1) + butan-1-ol (71-36-3) → 1,3-heptadiene (1002-26-2) + hepta-2,4-diene (628-72-8) + butyraldehyde (123-72-8) + isopropyl alcohol (67-63-0,8013-70-5)

Guidance literature:

at 380 ℃; ueber einen Lebedew-Katalysator; Prod₅:Buten; Prod₆:Propen;

Reference yield:

1-Heptyne (628-71-7) → hepta-2,4-diene (628-72-8) + hept-2-yne (1119-65-9)

Guidance literature:

With aluminium oxide-chromium oxide; at 250 ℃;

upstream raw materials:

1-Heptyne

hepta-1,5-diene

acetone

butan-1-ol

Downstream raw materials:

acetic acid

propionic acid