1,5-Heptadiene

Base Information

• Chemical Name: 1,5-Heptadiene
• CAS No.: 1541-23-7
• Molecular Formula: C7H12
• Molecular Weight: 96.1723
• European Community (EC) Number: 679-913-7
• NSC Number: 93796
• Nikkaji Number: J121.076I,J236.169H
• Mol file: 1541-23-7.mol

Synonyms:1,5-Heptadiene;1541-23-7;(5E)-hepta-1,5-diene;trans-1,5-Heptadiene;1,5-Heptadiene, (E)-;(5E)-1,5-Heptadiene;PM5ZF97YDL;NSC-93796;NSC93796;1,trans-5-heptadiene;(e)-1,5-heptadiene;UNII-PM5ZF97YDL;7736-22-3;ZGXMNEKDFYUNDQ-GQCTYLIASA-N;ZGXMNEKDFYUNDQ-UHFFFAOYSA-N;MFCD00026998;NSC 93796;AKOS025294592;T71838

Chemical Property of 1,5-Heptadiene

Chemical Property:

• Melting Point: -105.67°C (estimate)
• Refractive Index: 1.4180-1.4210
• Boiling Point: 90.5°Cat760mmHg
• Flash Point: °C
• Density: 0.724g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 96.093900383
• Heavy Atom Count: 7
• Complexity: 60.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,5-Heptadiene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,5-Heptadiene

There total 23 articles about 1,5-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: 46.0%

bis(η3-allyl)nickel(II) + crotonyl chloride (10487-71-5) → 1,5-Hexadien (592-42-7) + 3-methyl-1,5-hexadiene (1541-33-9) + hepta-1,5-diene (1541-23-7)

Guidance literature:

In diethyl ether; 1.4 h in an argon atmosphere; gas-liquid chromy.;

Reference yield: 38.0%

{(η3-crotyl)2nickel} + allyl bromide (106-95-6) → 2,6-octadiene (4974-27-0) + hepta-1,5-diene (1541-23-7) + meso-3,4-dimethylhexa-1,5-diene (4894-63-7)

Guidance literature:

In diethyl ether; 0.2 h in an argon atmosphere; gas-liquid chromy.;

Reference yield: 33.0%

{(η3-crotyl)2nickel} + allyl iodid (556-56-9) → 3-methyl-1,5-hexadiene (1541-33-9) + 2,6-octadiene (4974-27-0) + hepta-1,5-diene (1541-23-7) + meso-3,4-dimethylhexa-1,5-diene (4894-63-7)

Guidance literature:

In diethyl ether; 0.08 h in an argon atmosphere; gas-liquid chromy.;

upstream raw materials:

2-chloro-3-butene

allylmagnesium bromide

3-methyl-1,5-hexadiene

1-chloro-2-butene

Downstream raw materials:

hepta-2,4-diene

3-methyl-1,5-hexadiene

1-Brom-hepten-(5)