1,4-Bis(phenylethynyl)benzene

Base Information

• Chemical Name: 1,4-Bis(phenylethynyl)benzene
• CAS No.: 1849-27-0
• Molecular Formula: C22H14
• Molecular Weight: 278.353
• Hs Code.: 2902909090
• European Community (EC) Number: 824-026-4
• DSSTox Substance ID: DTXSID80347647
• Nikkaji Number: J361.831E
• Wikidata: Q82121783
• Mol file: 1849-27-0.mol

Synonyms:1,4-bis(2-phenylethynyl)benzene

Chemical Property of 1,4-Bis(phenylethynyl)benzene

Chemical Property:

• Vapor Pressure: 9.71E-08mmHg at 25°C
• Melting Point: 176 °C
• Refractive Index: 1.674
• Boiling Point: 446.3 °C at 760 mmHg
• Flash Point: 219.8 °C
• PSA: 0.00000
• Density: 1.15 g/cm³
• LogP: 4.48620
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 278.109550447
• Heavy Atom Count: 22
• Complexity: 407

Purity/Quality:

≥99.0% ^*data from raw suppliers

1,?4-?Bis(phenylethynyl)?benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3
• General Description: 1,4-Bis(phenylethynyl)benzene is a model compound for poly(phenyleneethynylene) and exhibits conventional photophysical behavior, emitting from the lowest vibrational level of the first excited singlet state without evidence of unusual excited-state dynamics. It has also been utilized in Sonogashira cross-coupling reactions and serves as a precursor in the synthesis of complex hydrocarbon structures, including graphite disks.

Technology Process of 1,4-Bis(phenylethynyl)benzene

There total 50 articles about 1,4-Bis(phenylethynyl)benzene 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%

para-diiodobenzene (624-38-4,1032416-46-8) + phenylacetylene (536-74-3) → 1,4-bis(2-phenylethynyl)benzene (1849-27-0)

Guidance literature:

With triethylamine; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; at 89 ℃; for 0.05h;

DOI:10.1246/bcsj.57.752

Reference yield: 96.0%

para-diiodobenzene (624-38-4,1032416-46-8) + phenylpropyolic acid (637-44-5) → 1,4-bis(2-phenylethynyl)benzene (1849-27-0)

Guidance literature:

With copper(l) iodide; potassium carbonate; triphenylphosphine; In dimethyl sulfoxide; at 110 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c1ob05969f

Reference yield: 94.0%

1,1′-(1,4-phenylene) bis(3-phenylprop-2-yn-1-one) (41304-88-5) → 1,4-bis(2-phenylethynyl)benzene (1849-27-0)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In ethylbenzene; at 150 ℃;

DOI:10.1039/c5sc00584a

upstream raw materials:

1,4-bis(phenylethynyl)-2,5-cyclohexadiene-1,4-diol

1,4-bis-(α,β-dibromo-phenethyl)-benzene

copper(I) phenylacetylenide

para-diiodobenzene

Downstream raw materials:

2',2''',3',3''',5',5''',6',6'''-octaphenyl-p-quinquephenyl

1.4-Bis-1.2.4-triphenyl-fluorenonyl-⁽³⁾-benzol

1,4-bis(phenylglyoxalyl)benzene

1-(phenylglyoxaloyl)-4-(phenylethynyl)benzene

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