1,1'-(1,4-Phenylene)bis(3-phenylprop-2-yn-1-one)

Base Information

• Chemical Name: 1,1'-(1,4-Phenylene)bis(3-phenylprop-2-yn-1-one)
• CAS No.: 41304-88-5
• Molecular Formula: C24H14O2
• Molecular Weight: 334.374
• DSSTox Substance ID: DTXSID30558185
• Nikkaji Number: J664.265I
• Wikidata: Q82440383
• Mol file: 41304-88-5.mol

Synonyms:41304-88-5;1,1'-(1,4-Phenylene)bis(3-phenylprop-2-yn-1-one);SCHEMBL10625119;DTXSID30558185

Chemical Property of 1,1'-(1,4-Phenylene)bis(3-phenylprop-2-yn-1-one)

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 334.099379685
• Heavy Atom Count: 26
• Complexity: 569

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC(=O)C2=CC=C(C=C2)C(=O)C#CC3=CC=CC=C3

Technology Process of 1,1'-(1,4-Phenylene)bis(3-phenylprop-2-yn-1-one)

There total 9 articles about 1,1'-(1,4-Phenylene)bis(3-phenylprop-2-yn-1-one) 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: 92.0%

phenylacetylene (536-74-3) + terephthaloyl chloride (100-20-9) → 1,1′-(1,4-phenylene) bis(3-phenylprop-2-yn-1-one) (41304-88-5)

Guidance literature:

With triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; at 89 ℃; for 0.1h; other catalyst;

DOI:10.1246/bcsj.57.752

Reference yield: 70.0%

carbon monoxide (201230-82-2) + para-diiodobenzene (624-38-4,1032416-46-8) + phenylacetylene (536-74-3) → 1,4-bis(2-phenylethynyl)benzene (1849-27-0) + 1,1′-(1,4-phenylene) bis(3-phenylprop-2-yn-1-one) (41304-88-5)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 80 ℃; for 8h; under 3040.2 Torr; Autoclave;

DOI:10.1016/j.apcata.2015.09.019

Reference yield: 63.0%

1,1'-(1,4-phenylene)bis-(3-phenylprop-2-yn-1-ol) (42093-83-4) → 1,1′-(1,4-phenylene) bis(3-phenylprop-2-yn-1-one) (41304-88-5)

Guidance literature:

With manganese(IV) oxide; In acetone; at 20 ℃; for 2h;

upstream raw materials:

phenylacetylene

terephthaloyl chloride

carbon monoxide

para-diiodobenzene

Downstream raw materials:

3-morpholin-4-yl-3-phenyl-1-[4-(3-phenyl-prop-2-ynoyl)-phenyl]-propenone

1-[4-(3,3-Dimethoxy-3-phenyl-propionyl)-phenyl]-3,3-dimethoxy-3-phenyl-propan-1-one

1-[4-(3,3-Diethoxy-3-phenyl-propionyl)-phenyl]-3,3-diethoxy-3-phenyl-propan-1-one

(Z)-3-Phenoxy-1-[4-((Z)-3-phenoxy-3-phenyl-acryloyl)-phenyl]-3-phenyl-propenone