2,4-Dimethylphenyl 3-phenylprop-2-ynoate

Base Information

• Chemical Name: 2,4-Dimethylphenyl 3-phenylprop-2-ynoate
• CAS No.: 104213-87-8
• Molecular Formula: C17H14O2
• Molecular Weight: 250.297
• DSSTox Substance ID: DTXSID10546545
• Wikidata: Q82424411
• Mol file: 104213-87-8.mol

Synonyms:104213-87-8;2,4-Dimethylphenyl 3-phenylprop-2-ynoate;DTXSID10546545

Chemical Property of 2,4-Dimethylphenyl 3-phenylprop-2-ynoate

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 250.099379685
• Heavy Atom Count: 19
• Complexity: 367

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OC(=O)C#CC2=CC=CC=C2)C

Technology Process of 2,4-Dimethylphenyl 3-phenylprop-2-ynoate

There total 1 articles about 2,4-Dimethylphenyl 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: 80.0%

2,4-Xylenol (105-67-9) + phenylpropyolic acid (637-44-5) → 2,4-dimethylphenyl phenylpropynoate (104213-87-8)

Guidance literature:

With pyridine; dicyclohexyl-carbodiimide; for 0.25h; Ambient temperature;

DOI:10.1021/jo00373a016

Reference yield: 79.0%

2,4-dimethylphenyl phenylpropynoate (104213-87-8) + acetonitrile (75-05-8,26809-02-9) → 2-(6,8-dimethyl-2-oxo-4-phenyl-2H-chromen-3-yl)acetonitrile

Guidance literature:

With tert-Butyl peroxybenzoate; sodium carbonate; at 130 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.joc.6b02155

Reference yield: 65.0%

2-(difluoromethanesulfonyl)-1,3-benzothiazole (186204-66-0) + 2,4-dimethylphenyl phenylpropynoate (104213-87-8) → 3-(difluoromethyl)-6,8-dimethyl-4-phenyl-2H-chromen-2-one

Guidance literature:

With fac-tris(2-phenylpyridinato-N,C₂')iridium(III); sodium carbonate; In dimethyl sulfoxide; at 20 ℃; for 24h; regioselective reaction; Inert atmosphere; Irradiation;

DOI:10.1039/c7ob02366a

upstream raw materials:

2,4-Xylenol

phenylpropyolic acid

Downstream raw materials:

1-(2,4-dimethylphenyl)-2-phenylacetylene

1-(3,5-dimethyl-2-hydroxyphenyl)-3-phenylpropynone

6,8-dimethyl-2-phenyl-chromen-4-one

(Z)-5,7-dimethylaurone