cis-Z-1,6-Diphenyl-3-hexene-1,5-diyne

Base Information

• Chemical Name: cis-Z-1,6-Diphenyl-3-hexene-1,5-diyne
• CAS No.: 27370-85-0
• Molecular Formula: C18H12
• Molecular Weight: 228.293
• Hs Code.: 2902909090
• Nikkaji Number: J618.876A
• Mol file: 27370-85-0.mol

Synonyms:1,6-diphenyl-3-hexene-1,5,-diyne;1,6-diphenyl-3-hexene-1,5,-diyne, (E)-isomer

Chemical Property of cis-Z-1,6-Diphenyl-3-hexene-1,5-diyne

Chemical Property:

• Boiling Point: 349.6oC at 760 mmHg
• Flash Point: 159oC
• PSA: 0.00000
• Density: 1.09g/cm3
• LogP: 3.64600
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 228.093900383
• Heavy Atom Count: 18
• Complexity: 348

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC=CC#CC2=CC=CC=C2
• Isomeric SMILES: C1=CC=C(C=C1)C#C/C=C\C#CC2=CC=CC=C2

Technology Process of cis-Z-1,6-Diphenyl-3-hexene-1,5-diyne

There total 14 articles about cis-Z-1,6-Diphenyl-3-hexene-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: 87.0%

(Z)-1-(4-chlorobut-3-en-1-ynyl)benzene (18684-88-3) + phenylacetylene (536-74-3) → cis-1,6-diphenyl-3-hexene-1,5-diyne (27370-85-0)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; N-butylamine; In benzene; at 20 ℃; for 24h;

DOI:10.1002/1099-0690(200110)2001:20<3879::AID-EJOC3879>3.0.CO;2-K

Reference yield: 44.0%

cis-1,2-Dichloroethylene (156-59-2,43695-79-0) + phenylacetylene (536-74-3) → cis-1,6-diphenyl-3-hexene-1,5-diyne (27370-85-0)

Guidance literature:

With copper(l) iodide; N-butylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In benzene; at 20 ℃; for 3h;

DOI:10.1002/poc.797

Reference yield: 40.0%

bis-γ-phenylpropargyl sulfone (175439-15-3) → cis-1,6-diphenyl-3-hexene-1,5-diyne (27370-85-0) + trans-1,6-Bis(phenyl)hexa-1,5-diyn-3-ene (13305-02-7)

Guidance literature:

With potassium hydroxide; In dichloromethane; at -10 ℃; for 0.5h;

DOI:10.1016/0040-4039(95)02345-3

upstream raw materials:

cis-1,2-Dichloroethylene

phenylacetylene

3-diazo-3-phenylpropyne

bis-γ-phenylpropargyl sulfone

Downstream raw materials:

trans-1,6-Bis(phenyl)hexa-1,5-diyn-3-ene

o-terphenyl

triphenylene

1-phenylbiphenylene