4-Methoxyphenyl 3-phenylprop-2-ynoate

Base Information

• Chemical Name: 4-Methoxyphenyl 3-phenylprop-2-ynoate
• CAS No.: 104213-86-7
• Molecular Formula: C16H12O3
• Molecular Weight: 252.269
• ChEMBL ID: CHEMBL3359577
• DSSTox Substance ID: DTXSID50546544
• Nikkaji Number: J2.063.620C
• Wikidata: Q82424409
• Mol file: 104213-86-7.mol

Synonyms:104213-86-7;4-Methoxyphenyl 3-phenylprop-2-ynoate;CHEMBL3359577;DTXSID50546544

Chemical Property of 4-Methoxyphenyl 3-phenylprop-2-ynoate

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 252.078644241
• Heavy Atom Count: 19
• Complexity: 349

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)OC(=O)C#CC2=CC=CC=C2

Technology Process of 4-Methoxyphenyl 3-phenylprop-2-ynoate

There total 6 articles about 4-Methoxyphenyl 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: 94.0%

4-methoxy-phenol (150-76-5) + phenylpropyolic acid (637-44-5) → 4-methoxyanisole-1-yl-3-phenyl-2-propynoate (104213-86-7)

Guidance literature:

phenylpropyolic acid; With N-(methyl)-N-(p-toluenesulfonyl)ethynylamine; In dichloromethane; at 20 ℃;

4-methoxy-phenol; With triethylamine; In acetonitrile; at 20 ℃; for 1h;

DOI:10.1021/acs.joc.0c00485

Reference yield: 68.0%

carbon monoxide (201230-82-2) + 4-methoxy-phenol (150-76-5) + phenylacetylene (536-74-3) → 4-methoxyanisole-1-yl-3-phenyl-2-propynoate (104213-86-7)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; p-benzoquinone; In 1,2-dichloro-ethane; at 70 ℃; for 24h; under 15001.5 Torr; Reagent/catalyst; Catalytic behavior; Autoclave;

DOI:10.1021/acs.orglett.8b01368

Reference yield: 48.0%

phenylpropiolyl chloride (7299-58-3) + 4-methoxy-phenol (150-76-5) → 4-methoxyanisole-1-yl-3-phenyl-2-propynoate (104213-86-7)

Guidance literature:

In chloroform;

DOI:10.1021/jo00373a016

upstream raw materials:

phenylpropiolyl chloride

4-methoxy-phenol

phenylpropyolic acid

carbon monoxide