1,5-Diphenylpent-1-yn-3-one

Base Information

• Chemical Name: 1,5-Diphenylpent-1-yn-3-one
• CAS No.: 108357-95-5
• Molecular Formula: C17H14O
• Molecular Weight: 234.298
• DSSTox Substance ID: DTXSID50544747
• Nikkaji Number: J614.168D
• Wikidata: Q82421997
• Mol file: 108357-95-5.mol

Synonyms:1,5-Diphenylpent-1-yn-3-one;108357-95-5;DTXSID50544747

Chemical Property of 1,5-Diphenylpent-1-yn-3-one

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 234.104465066
• Heavy Atom Count: 18
• Complexity: 318

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC(=O)C#CC2=CC=CC=C2

Technology Process of 1,5-Diphenylpent-1-yn-3-one

There total 20 articles about 1,5-Diphenylpent-1-yn-3-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: 96.0%

1,5-diphenyl-pent-1-yn-3-ol (134260-67-6) → 1,5-diphenylpent-1-yn-3-one (108357-95-5)

Guidance literature:

1,5-diphenyl-pent-1-yn-3-ol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.25h; Inert atmosphere;

With triethylamine; In dichloromethane; at -78 - 21 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c7ob02406a

Reference yield: 82.0%

copper(I) phenylacetylenide (13146-23-1) + 4-(3-phenyl-propionyl)-morpholine (17077-46-2) → 1,5-diphenylpent-1-yn-3-one (108357-95-5)

Guidance literature:

copper(I) phenylacetylenide; 4-(3-phenyl-propionyl)-morpholine; With trifluoromethylsulfonic anhydride; In 1,2-dichloro-ethane; at 100 ℃; for 1.5h; Sealed tube;

With water; In 1,2-dichloro-ethane; at 50 ℃; for 0.5h; Solvent; Sealed tube;

DOI:10.1021/acs.orglett.0c02944

Reference yield: 74.0%

4-Phenyl-1-butyne (16520-62-0) + iodobenzene (591-50-4) + carbon monoxide (201230-82-2) → 1,5-diphenylpent-1-yn-3-one (108357-95-5)

Guidance literature:

With diethylamine; [(PPh3)2Pd2(Ph)2(μ-OH)2]; at 90 ℃; for 2h; under 11400 Torr;

DOI:10.1055/s-1994-25660

upstream raw materials:

copper(I) phenylacetylenide

hydrocinnamic acid chloride

ethyl dihydrocinnamate

phenylacetylene

Downstream raw materials:

tert-butyl furan-2-yl(2-hydroxy-2-phenethyl-4-phenylbut-3-ynyl)carbamate

C₂₆H₂₄O

C₂₁H₂₂O

C₂₆H₂₄O

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