391522

α-Methylhydrocinnamic acid

98%

• Linear Formula: C₆H₅CH₂CH(CH₃)CO₂H
• CAS Number: 1009-67-2
• Molecular Weight: 164.20
• MDL number: MFCD00192301
• UNSPSC Code: 12352100
• PubChem Substance ID: 24864386
• NACRES: NA.22

Properties

• Assay: 98%
• form: solid
• bp: 167-168 °C/23 mmHg (lit.)
• mp: 39-41 °C (lit.)
• density: 1.065 g/mL at 25 °C (lit.)
• SMILES string: CC(Cc1ccccc1)C(O)=O
• InChI: 1S/C10H12O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
• InChI key: MCIIDRLDHRQKPH-UHFFFAOYSA-N

Description

General description

α-Methylhydrocinnamic acid (2-methyl-3-phenylpropionic acid, 2-benzylpropionic acid) is a cinnamic acid derivative. Its synthesis by the asymmetric hydrogenation of α-methylcinnamic acid has been reported. α-Methylhydrocinnamic acid, a short chain fatty acid derivative (SCFAD), has been reported to correct the cystic fibrosis transmembrane conductance regulator (ΔF508-CFTR) defect. Conformational studies of 2-methyl-3-phenylpropionic acid has been investigated by NMR spectroscopy. The enantiomers of 2-benzylpropionic acid has been reported to be synthesized using a lipase-catalyzed resolution. (S) (+)-2-methyl-3-phenylpropionic acid participates in the synthesis of optically active (R)-5-methyl-6-phenylhexanoyl azide. L-2-Methyl-3.phenylpropionic acid has been reported to be an inhibitor of carboxypeptidase A. Polymer-supported “Evans” oxazolidinone mediated solid phase asymmetric has been employed in the synthesis of (S)-2-methyl-3-phenylpropionic acid.

Application

α-Methylhydrocinnamic acid is suitable for use in the comparative study to investigate the γ-globin inducibility of short-chain fatty acid derivatives (SCFADs) in mice. It may be used as a histone deacetylase (HDAC) inhibitor in the comparative study to investigate the EGFP-induction potency of a number of HDAC inhibitors. It may be used in the study to investigate the selectivity of the sensor based on imprinted poly(o-phenylenediamine) (iPoPD).

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves