trans-E-1,6-Diphenyl-3-hexene-1,5-diyne

Base Information

• Chemical Name: trans-E-1,6-Diphenyl-3-hexene-1,5-diyne
• CAS No.: 13305-02-7
• Molecular Formula: C18H12
• Molecular Weight: 228.293
• Nikkaji Number: J1.307.013J,J708.652K
• Mol file: 13305-02-7.mol

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

Chemical Property of trans-E-1,6-Diphenyl-3-hexene-1,5-diyne

Chemical Property:

• Boiling Point: 349.6°Cat760mmHg
• Flash Point: 159°C
• Density: 1.09g/cm³
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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 trans-E-1,6-Diphenyl-3-hexene-1,5-diyne

There total 18 articles about trans-E-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: 100.0%

phenylpropargyl bromide (50874-14-1) → trans-1,6-Bis(phenyl)hexa-1,5-diyn-3-ene (13305-02-7)

Guidance literature:

With n-butyllithium; 1,1,1,3,3,3-hexamethyl-disilazane; lithium hexamethyldisilazane; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide;

Reference yield: 75.0%

(E)-1,2-dibromoethene (590-12-5) + (phenylethynyl)zinc chloride (13984-49-1) → trans-1,6-Bis(phenyl)hexa-1,5-diyn-3-ene (13305-02-7)

Guidance literature:

With (Z)-1,2-dibromo-ethene; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; for 16h; Ambient temperature;

DOI:10.1016/S0040-4039(00)94272-2

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:

(E)-1,2-dibromoethene

(phenylethynyl)zinc chloride

trans-1,2-dichloroethylene

phenylacetylene

Downstream raw materials:

cis-1,6-diphenyl-3-hexene-1,5-diyne