4-(Phenylethynyl)benzil

Base Information

• Chemical Name: 4-(Phenylethynyl)benzil
• CAS No.: 70734-74-6
• Molecular Formula: C22H14O2
• Molecular Weight: 310.352
• DSSTox Substance ID: DTXSID20454809
• Nikkaji Number: J361.832C
• Wikidata: Q82276560
• Mol file: 70734-74-6.mol

Synonyms:4-(Phenylethynyl)benzil;70734-74-6;SCHEMBL6675223;DTXSID20454809;QJWIFTUKCAWTEZ-UHFFFAOYSA-N;1-[4-(Phenylethynyl)phenyl]-2-phenylethane-1,2-dione

Chemical Property of 4-(Phenylethynyl)benzil

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 310.099379685
• Heavy Atom Count: 24
• Complexity: 501

Purity/Quality:

85.0-99.8% ^*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#CC2=CC=C(C=C2)C(=O)C(=O)C3=CC=CC=C3

Technology Process of 4-(Phenylethynyl)benzil

There total 5 articles about 4-(Phenylethynyl)benzil 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: 70.0%

1,4-bis(2-phenylethynyl)benzene (1849-27-0) → 1,4-bis(phenylglyoxalyl)benzene (3363-97-1) + 1-(phenylglyoxaloyl)-4-(phenylethynyl)benzene (70734-74-6)

Guidance literature:

With SO₃-dioxane; at 60 ℃; for 1.66667h;

DOI:10.1055/s-2001-14558

Reference yield: 60.0%

(E)-1-(2-phenylethenyl)-4-(phenylethynyl)benzene (21850-30-6) → 1-(phenylglyoxaloyl)-4-(phenylethynyl)benzene (70734-74-6)

Guidance literature:

With hydrogen bromide; In dimethyl sulfoxide; at 100 ℃; for 11h;

DOI:10.1055/s-1995-4094

Reference yield: 45.0%

1,4-bis(2-phenylethynyl)benzene (1849-27-0) → 1-(phenylglyoxaloyl)-4-(phenylethynyl)benzene (70734-74-6)

Guidance literature:

With iodine; dimethyl sulfoxide; at 155 ℃; for 17h;

DOI:10.1055/s-1991-26397

upstream raw materials:

1,4-bis(2-phenylethynyl)benzene

(E)-1-(2-phenylethenyl)-4-(phenylethynyl)benzene

4-bromobenzil

phenylacetylene