2-Oxo-3-(4-phenylphenyl)propanoic acid

Base Information

• Chemical Name: 2-Oxo-3-(4-phenylphenyl)propanoic acid
• CAS No.: 91853-46-2
• Molecular Formula: C15H12O3
• Molecular Weight: 240.258
• European Community (EC) Number: 811-366-3
• Mol file: 91853-46-2.mol

Synonyms:91853-46-2;2-oxo-3-(4-phenylphenyl)propanoic acid;[1,1'-Biphenyl]-4-propanoic acid, .alpha.-oxo-;4-Biphenylylpyruvic Acid;4-biphenyl-pyruvic acid;3-([1,1'-Biphenyl]-4-yl)-2-oxopropanoic acid;3-{[1,1'-BIPHENYL]-4-YL}-2-OXOPROPANOIC ACID;3-(4-Biphenylyl)-2-oxopropanoic Acid;4-biphenylyl-pyruvic acid;4-Phenylphenylpyruvic Acid;SCHEMBL7319428;YLSFJNHIOYAOHZ-UHFFFAOYSA-N;MFCD09737957;AKOS000145580;2-oxo-3-(4-phenylphenyl)propanoicacid;SY209648;EN300-254748;6-FLUORO-4-INDAZOLECARBOXYLICACIDMETHYLESTER

Chemical Property of 2-Oxo-3-(4-phenylphenyl)propanoic acid

Chemical Property:

• Melting Point: 205 °C (ethyl acetate)
• Boiling Point: 421.8±34.0 °C (760 mmHg)
• PSA: 54.37000
• Density: 1.227±0.06 g/cm3 (20 °C, 760 mmHg)
• LogP: 2.54980
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

4-BiphenylylpyruvicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)C(=O)O
• Uses: 4-Biphenylylpyruvic Acid is a derivative of 4-Biphenylylcarboxaldehyde (B397845) and is used as a reagent in the synthesis of endopeptidase inhibitors.

Technology Process of 2-Oxo-3-(4-phenylphenyl)propanoic acid

There total 7 articles about 2-Oxo-3-(4-phenylphenyl)propanoic acid 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: 96.2%

2,4-imidazolidinedione (461-72-3) + 4-Phenylbenzaldehyde (3218-36-8) → 3-([1,1'-biphenyl]-4-yl)-2-oxopropanoic acid (91853-46-2)

Guidance literature:

With ethanolamine; In ethanol; water; at 50 ℃; Reagent/catalyst; Temperature;

Reference yield:

4-[1-biphenyl-4-yl-meth-(Z)-ylidene]-2-phenyl-4H-oxazol-5-one (1057002-37-5) → 3-([1,1'-biphenyl]-4-yl)-2-oxopropanoic acid (91853-46-2)

Guidance literature:

With sulfuric acid; acetic acid; In water; at 90 - 105 ℃; for 10h;

Reference yield:

(Z)-4-([1,10-biphenyl]-4-ylmethylene)-2-methyloxazol-5(4H)-one (1188995-14-3) → 3-([1,1'-biphenyl]-4-yl)-2-oxopropanoic acid (91853-46-2)

Guidance literature:

With hydrogenchloride; acetic acid; In water; at 80 - 100 ℃; for 10h;

upstream raw materials:

2-Phenyl-4-(4-phenylbenzylidene)oxazol-5-one

biphenyl-4-methylchloride

4-Phenylbenzaldehyde

4-[1-biphenyl-4-yl-meth-(Z)-ylidene]-2-phenyl-4H-oxazol-5-one

Downstream raw materials:

3-(3-Biphenyl-4-yl-4-hydroxy-5-oxo-2,5-dihydro-furan-2-yl)-propionic acid

3-(3-Biphenyl-4-yl-4-hydroxy-5-oxo-2,5-dihydro-furan-2-yl)-propionic acid ethyl ester

([1,1’-biphenyl]-4-yl)alanine

methyl (R)-α-<<(1,1-dimethylethoxy)carbonyl>amino><1,1'-biphenyl>-4-propanoate

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