Phenyl 3-phenylprop-2-ynoate

Base Information

• Chemical Name: Phenyl 3-phenylprop-2-ynoate
• CAS No.: 100954-03-8
• Molecular Formula: C15H10O2
• Molecular Weight: 222.243
• DSSTox Substance ID: DTXSID70552743
• Nikkaji Number: J1.721.409H
• Wikidata: Q82433112
• Mol file: 100954-03-8.mol

Synonyms:Phenyl 3-phenylprop-2-ynoate;100954-03-8;SCHEMBL15279130;DTXSID70552743

Chemical Property of Phenyl 3-phenylprop-2-ynoate

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 222.068079557
• Heavy Atom Count: 17
• Complexity: 308

Purity/Quality:

99% ^*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#CC(=O)OC2=CC=CC=C2

Technology Process of Phenyl 3-phenylprop-2-ynoate

There total 13 articles about Phenyl 3-phenylprop-2-ynoate 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: 90.0%

phenylpropyolic acid (637-44-5) + phenol (108-95-2,27073-41-2) → phenyl 3-phenylprop-2-ynoate (100954-03-8)

Guidance literature:

With pyridine; dicyclohexyl-carbodiimide; In dichloromethane; Inert atmosphere;

DOI:10.1016/j.tet.2020.131029

Reference yield: 81.0%

phenylpropiolyl chloride (7299-58-3) + phenol (108-95-2,27073-41-2) → phenyl 3-phenylprop-2-ynoate (100954-03-8)

Guidance literature:

With magnesium; In benzene; Heating;

DOI:10.1002/1522-2675(20011219)84:12<3548::AID-HLCA3548>3.0.CO;2-2

Reference yield: 80.0%

Diphenyliodonium triflate (66003-76-7) + phenylpropyolic acid (637-44-5) → phenyl 3-phenylprop-2-ynoate (100954-03-8)

Guidance literature:

With potassium carbonate; copper(l) chloride; In dichloromethane; at 40 ℃; for 3h; Temperature; Reagent/catalyst; Catalytic behavior; Inert atmosphere;

DOI:10.3762/bjoc.14.22

upstream raw materials:

phenylpropiolic acid sodium salt

phenyl chloroformate

phenylpropiolyl chloride

phenol

Downstream raw materials:

4-phenylcoumarin

C₂₆H₃₄O₆Si

C₂₀H₃₂O₅Si

C₃₀H₃₈O₅Si