D204307

Diphenylacetic acid

99%

• Synonym(s): α,α-Diphenylacetic acid, α-Phenylbenzeneacetic acid, 2,2-Diphenylacetic acid, Diphenylethanoic acid
• Linear Formula: (C₆H₅)₂CHCO₂H
• CAS Number: 117-34-0
• Molecular Weight: 212.24
• Beilstein/REAXYS Number: 1910978
• EC Number: 204-185-0
• MDL number: MFCD00004251
• UNSPSC Code: 12352100
• PubChem Substance ID: 24893604
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 99%
• form: powder
• mp: 146-149 °C; 147-149 °C (lit.)
• SMILES string: OC(=O)C(c1ccccc1)c2ccccc2
• InChI: 1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
• InChI key: PYHXGXCGESYPCW-UHFFFAOYSA-N

Description

Application

Diphenylacetic acid can be used as a reagent in the kinetic resolution of racemic 2-hydroxy-γ-butyrolactones and 1-heteroarylalkanols by asymmetric esterification in the presence of pivalic anhydride and chiral acyl-transfer catalyst.
It can also be used as:

• An additive in the ortho-arylation of 1-phenyl-β-carbolines using various aryl halides in the presence of ruthenium catalyst.
• A catalyst to synthesize 2-allyl-3-oxazolin-5-one derivatives via Rh-catalyzed coupling reaction of azlactones and alkynes followed by aza-Cope rearrangement.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302,H319,H412
• pcodes: P264 - P270 - P273 - P280 - P301 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Irrit. 2
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 2
• flash_point_f: 383.5 °F - closed cup
• flash_point_c: 195.3 °C - closed cup
• ppe: Eyeshields, Gloves, type N95 (US)