2-Benzoylphenylacetic acid

Base Information

• Chemical Name: 2-Benzoylphenylacetic acid
• CAS No.: 23107-96-2
• Molecular Formula: C15H12 O3
• Molecular Weight: 240.258
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID70177672
• Nikkaji Number: J16.768A
• Wikidata: Q83047984
• Mol file: 23107-96-2.mol

Synonyms:2-Benzoylphenylacetic acid;2-Bpaa;23107-96-2;Benzeneacetic acid, 2-benzoyl-;2-(2-benzoylphenyl)acetic acid;2-Benzoylbenzeneacetic acid;(o-Benzoylphenyl)acetic acid;Acetic acid, (o-benzoylphenyl)-;RU 5045;BRN 2374377;Acide benzoyl-2 phenyl acetique [French];Acide benzoyl-2 phenyl acetique;F 1211;ACETIC ACID, 2-BENZOYLPHENYL-;Acetic acid, (o-benzoylphenyl)- (8CI);3-10-00-03313 (Beilstein Handbook Reference);SCHEMBL56318;(2-benzoyl-phenyl)-acetic acid;DTXSID70177672;FT-0716517

Chemical Property of 2-Benzoylphenylacetic acid

Chemical Property:

• Vapor Pressure: 3.11E-09mmHg at 25°C
• Melting Point: 139 °C
• Refractive Index: 1.5570 (estimate)
• Boiling Point: 459.4°C at 760 mmHg
• PKA: 4.13±0.10(Predicted)
• Flash Point: 245.7°C
• PSA: 54.37000
• Density: 1.232g/cm³
• LogP: 2.54470
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

2-BENZOYL BENZENEACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2CC(=O)O

Technology Process of 2-Benzoylphenylacetic acid

There total 29 articles about 2-Benzoylphenylacetic 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: 98.0%

carbon dioxide (124-38-9,18923-20-1) + 2-Methylbenzophenone (131-58-8) → (2-benzoyl-phenyl)-acetic acid (23107-96-2)

Guidance literature:

In dimethyl sulfoxide; at 25 ℃; for 1.58333h; UV-irradiation; Inert atmosphere;

DOI:10.1039/c8cc01373j

Reference yield: 65.0%

3-phenyl-1H-indene (1961-97-3) → (2-benzoyl-phenyl)-acetic acid (23107-96-2)

Guidance literature:

With potassium dichromate; sulfuric acid; In water; benzene; at 55 ℃; for 3h;

DOI:10.1021/jm00140a016

Reference yield: 50.0%

carbon dioxide (124-38-9,18923-20-1) + 7-phenylbicyclo<4.2.0>octa-1,3,5-trien-7-ol (19164-61-5) → 2-Methylbenzophenone (131-58-8) + (2-benzoyl-phenyl)-acetic acid (23107-96-2)

Guidance literature:

In dimethyl sulfoxide; at 110 ℃; for 18h; Mechanism; Darkness; Schlenk technique;

DOI:10.1021/jacs.5b10032

upstream raw materials:

2-benzhydryl-3-phenyl-indene

3-phenyl-1H-indene

α-hydroxydecyl hydroperoxide

1-Phenyl-9,10,11-trioxa-tricyclo[6.2.1.0^2,7]undeca-2,4,6-triene

Downstream raw materials:

10b-phenyl-2,3,6,10b-tetrahydro-oxazolo[2,3-a]isoquinolin-5-one

methyl 2-(2-benzoylphenyl) acetate

1,4-dihydro-1-phenyl-3H-2-benzopyran-3-one

2-(2-benzylphenyl)acetic acid

Refernces

• 1、 Masuda, Yusuke,Makita, Katsuhiko,Ishida, Naoki,Murakami, Masahiro. "Synthesis of Tofisopam by Way of Photoinduced CO2 Fixation". supporting information. p. 4189 - 4192. Retrieved 2019/11/26.
• 2、 Masuda, Yusuke,Ishida, Naoki,Murakami, Masahiro. "Light-Driven Carboxylation of o-Alkylphenyl Ketones with CO2". supporting information. p. 14063 - 14066. Retrieved 2015/11/25.