Methyl 3-oxo-2,3-diphenylpropanoate

Base Information

• Chemical Name: Methyl 3-oxo-2,3-diphenylpropanoate
• CAS No.: 54108-62-2
• Molecular Formula: C16H14 O3
• Molecular Weight: 254.285
• NSC Number: 167257
• DSSTox Substance ID: DTXSID80304775
• Nikkaji Number: J1.071.360I
• Mol file: 54108-62-2.mol

Synonyms:methyl 3-oxo-2,3-diphenylpropanoate;54108-62-2;NSC167257;DTXSID80304775;UNDMMNILNUQQOV-UHFFFAOYSA-N;NSC-167257

Chemical Property of Methyl 3-oxo-2,3-diphenylpropanoate

Chemical Property:

• Vapor Pressure: 1.61E-05mmHg at 25°C
• Boiling Point: 365.1°Cat760mmHg
• Flash Point: 160°C
• Density: 1.161g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 254.094294304
• Heavy Atom Count: 19
• Complexity: 312

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

Technology Process of Methyl 3-oxo-2,3-diphenylpropanoate

There total 22 articles about Methyl 3-oxo-2,3-diphenylpropanoate 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: 87.0%

benzoyl chloride (98-88-4) + benzeneacetic acid methyl ester (101-41-7) → 3-Oxo-2,3-diphenylpropenoic acid methyl ester (54108-62-2)

Guidance literature:

With 1-methyl-1H-imidazole; titanium tetrachloride; triethylamine; In dichloromethane; at -45 ℃; for 2.33333h; Inert atmosphere;

DOI:10.1055/s-0035-1562482

Reference yield: 75.0%

Methyl phenyldiazoacetate (22979-35-7) + benzaldehyde (100-52-7) → 3-Oxo-2,3-diphenylpropenoic acid methyl ester (54108-62-2)

Guidance literature:

With tris(pentafluorophenyl)borate; In 1,2-dichloro-ethane; at 20 ℃; for 3h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1039/d1cc01856f

Reference yield: 75.0%

methanol (67-56-1) + 2-diazo-1,3-diphenylpropane-1,3-dione (2085-31-6) → 3-Oxo-2,3-diphenylpropenoic acid methyl ester (54108-62-2)

Guidance literature:

In toluene; at 60 - 80 ℃;

upstream raw materials:

phenyl benzyl ketone

methanol

3-oxo-2,3-diphenyl-propionitrile

2-diazo-1,3-diphenylpropane-1,3-dione

Downstream raw materials:

3,4-Diphenylisoxazol-5(2H)-one

erythro-1,2-diphenyl-1,3-propanediol

(Z)-3-Methoxy-2,3-diphenyl-2-propensaeure-methylester

(E)-3-Methoxy-2,3-diphenyl-2-propensaeure-methylester