(3Z)-hex-3-ene-1,5-diyne

Base Information

• Chemical Name: (3Z)-hex-3-ene-1,5-diyne
• CAS No.: 16668-67-0
• Molecular Formula: C6H4
• Molecular Weight: 76.0978
• Nikkaji Number: J689.263I
• Mol file: 16668-67-0.mol

Synonyms:3-Hexene-1,5-diyne,(Z)- (8CI); (Z)-3-Hexene-1,5-diyne; (Z)-Hexa-1,5-diyn-3-ene;cis-3-Hexene-1,5-diyne

Chemical Property of (3Z)-hex-3-ene-1,5-diyne

Chemical Property:

• Vapor Pressure: 283mmHg at 25°C
• Boiling Point: 52°C at 760 mmHg
• Density: 0.857g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 76.0313001276
• Heavy Atom Count: 6
• Complexity: 114

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC=CC#C
• Isomeric SMILES: C#C/C=C\C#C

Technology Process of (3Z)-hex-3-ene-1,5-diyne

There total 6 articles about (3Z)-hex-3-ene-1,5-diyne 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:

phenylacetylene (536-74-3) → hexa-1,3,5-triyne (3161-99-7) + (Z)-hex-3-ene-1,5-diyne (16668-67-0) + trans-hexa-1,3-diyn-2-ene (16668-68-1) + acetylene (74-86-2,25067-58-7)

Guidance literature:

at 100 ℃; under 0.0002 Torr; Product distribution; Thermodynamic data; UV-irradiation;

DOI:10.1021/ja0017312

Reference yield:

Diacetylterephthaloyl diperoxide (18350-25-9) → 1,4-benzenedicarboxylic acid dimethyl ester (120-61-6) + (Z)-hex-3-ene-1,5-diyne (16668-67-0)

Guidance literature:

at 300 - 600 ℃;

DOI:10.1002/(SICI)1521-3773(19980420)37:7<955::AID-ANIE955>3.0.CO;2-T

Reference yield:

polyparaphenylene (3355-34-8,328122-91-4,328248-72-2) → (Z)-hex-3-ene-1,5-diyne (16668-67-0)

Guidance literature:

at 197 ℃; Thermodynamic data; E_a, log A, ΔH(excit.), ΔS(excit.);

upstream raw materials:

1,1,2,5,6,6-hexabromo-hexa-2,4-diene

3-(toluene-4-sulfonyloxy)-hexa-1,5-diyne

polyparaphenylene

Diacetylterephthaloyl diperoxide

Downstream raw materials:

trans-hexa-1,3-diyn-2-ene

α-3(Z)-hexene-1,5-diynylbenzenemethanol

1,8-diphenyl-4-octene-2,6-diyne-1,8-diol

(1Z,7Z,13Z,19Z)-cyclotetracosa-1,7,13,19-tetraene-3,5,9,11,15,17,21,23-octayne