2-(3-Benzoylphenyl)acetic acid

Base Information

• Chemical Name: 2-(3-Benzoylphenyl)acetic acid
• CAS No.: 22071-22-3
• Molecular Formula: C15H12 O3
• Molecular Weight: 240.258
• Hs Code.: 2918300090
• European Community (EC) Number: 244-760-3
• UNII: 57OG4Q7B6Y
• DSSTox Substance ID: DTXSID10176563
• Nikkaji Number: J285.426K
• Wikidata: Q27261516
• ChEMBL ID: CHEMBL561718
• Mol file: 22071-22-3.mol

Synonyms:3-Benzoylphenylacetic acid;22071-22-3;2-(3-Benzoylphenyl)acetic acid;(3-Benzoylphenyl)acetic acid;Desmethyl Ketoprofen;m-Benzoylphenylacetic acid;Benzeneacetic acid, 3-benzoyl-;RU 4462;ACETIC ACID, (m-BENZOYLPHENYL)-;3-Benzoylbenzeneacetic acid;57OG4Q7B6Y;CHEMBL561718;EINECS 244-760-3;MFCD00046549;RU-4462;BRN 2647970;19421 R.P.;3-Benzoylphenyl acetic acid;m-benzoyl-phenyl acetic acid;UNII-57OG4Q7B6Y;SCHEMBL512838;2-(3-Benzoylphenyl)aceticacid;DTXSID10176563;AMY15170;BDBM50295286;AKOS016001230;AC-25584;DS-12292;SY019834;19421 R.P;HY-131118;KETOPROFEN IMPURITY B [EP IMPURITY];CS-0128784;FT-0638181;A815897;J-014466;Q27261516

Chemical Property of 2-(3-Benzoylphenyl)acetic acid

Chemical Property:

• Vapor Pressure: 1.83E-08mmHg at 25°C
• Melting Point: 111°C
• Boiling Point: 438.5°Cat760mmHg
• PKA: 4.18±0.10(Predicted)
• Flash Point: 233.1°C
• PSA: 54.37000
• Density: 1.232g/cm³
• LogP: 2.54470
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Sparingly), Methanol (Slightly)
• XLogP3: 3
• 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

DesmethylKetoprofen ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)CC(=O)O
• Uses: 3-Benzoylphenylacetic Acid shows antiinflammatory and analgesic activities and it can be used as neoplasm inhibitors and for treatment of angiogenesis-related disorders Desmethyl Ketoprofen (Ketoprofen EP Impurity B) shows antiinflammatory and analgesic activities. It can be used as neoplasm inhibitors and for treatment of angiogenesis-related disorders.

Technology Process of 2-(3-Benzoylphenyl)acetic acid

There total 11 articles about 2-(3-Benzoylphenyl)acetic 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:

2-(3-benzoylphenyl)acetonitrile (21288-34-6) → 2-(3-benzoylphenyl)acetic acid (22071-22-3)

Guidance literature:

With sulfuric acid; acetic acid; Heating;

Reference yield:

3-benzoylbenzyl bromide (22071-24-5) → 2-(3-benzoylphenyl)acetic acid (22071-22-3)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: aq. HCl

With hydrogenchloride; In ethanol; 1: Substitution / 2: Hydrolysis;

DOI:10.1039/b006724p

Reference yield:

3-methyl benzophenone (643-65-2) → 2-(3-benzoylphenyl)acetic acid (22071-22-3)

Guidance literature:

Multi-step reaction with 3 steps

1: NBS / CCl₄

2: ethanol

3: aq. HCl

With hydrogenchloride; N-Bromosuccinimide; In tetrachloromethane; ethanol; 1: Bromination / 2: Substitution / 3: Hydrolysis;

DOI:10.1039/b006724p

upstream raw materials:

2-(3-benzoylphenyl)acetonitrile

methyl iodide

m-Toluic acid

3-benzoylbenzyl bromide

Downstream raw materials:

tert-butyl 2-(3-benzoylphenyl)acetate

sodium 3-benzoylphenylacetate

1-(3-benzoylphenyl)cyclopropanecarboxylic acid

methyl -1--(3--benzoylphenyl)cyclopropanecarboxylate

Refernces

• 1、 -. "Hydroxyquinolone derivatives compounds which have pharmaceutical utility". . . Retrieved 2008/06/13.
• 2、 Lee, Eun,Lee, Hyeon Ho,Chang, Hye Kyung,Lim, Dong Yeol. "REMOTE FUNCTIONALIZATION ON THE STEROID β-FACE: ATTACK ON CARBON-15". . p. 339 - 342. Retrieved 2007/10/02.