Hept-5-en-1-yne

Base Information

• Chemical Name: Hept-5-en-1-yne
• CAS No.: 127130-69-2
• Molecular Formula: C7H10
• Molecular Weight: 94.1564
• DSSTox Substance ID: DTXSID40709520
• Mol file: 127130-69-2.mol

Synonyms:Hept-5-en-1-yne;127130-69-2;DTXSID40709520

Chemical Property of Hept-5-en-1-yne

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 94.078250319
• Heavy Atom Count: 7
• Complexity: 89.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCCC#C

Technology Process of Hept-5-en-1-yne

There total 2 articles about Hept-5-en-1-yne 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:

6-Heptyn-2-one tosylhydrazone lithium salt (127130-73-8) → hept-1-en-6-yne (65939-59-5) + 1-methyl-1,3-cyclohexadiene (1489-56-1) + cis-5-Hepten-1-yne (127130-70-5) + trans-5-Hepten-1-yne (127130-69-2)

Guidance literature:

at 150 ℃; Product distribution; also photolytic decomposition in THF;

DOI:10.1021/jo00299a032

Reference yield:

6-Heptyn-2-one tosylhydrazone sodium salt (127130-74-9) → hept-1-en-6-yne (65939-59-5) + 1-methyl-1,3-cyclohexadiene (1489-56-1) + cis-5-Hepten-1-yne (127130-70-5) + trans-5-Hepten-1-yne (127130-69-2)

Guidance literature:

at 150 ℃; Product distribution;

DOI:10.1021/jo00299a032

upstream raw materials:

6-Heptyn-2-one tosylhydrazone lithium salt

6-Heptyn-2-one tosylhydrazone sodium salt

Refernces