2-Benzylpropionic acid

2-Benzylpropionic acid Basic information
Product Name:2-Benzylpropionic acid
Synonyms:(+/-)-a-Methylbenzenepropanoic acid;2-Methyl-3-phenylpropanoic acid;a-Methyldihydrocinnamic acid;a-Methylhydrocinnamic acid;Propanoic acid, 2-(phenylmethyl)-;2-Benzylpropanoic acid;2-Methyl-3-phenylpropionic acid;α-Methylbenzenepropionic acid
CAS:1009-67-2
MF:C10H12O2
MW:164.2
EINECS:201-982-5
Product Categories:C10;Carbonyl Compounds;Carboxylic Acids;Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks
Mol File:1009-67-2.mol
2-Benzylpropionic acid Structure
2-Benzylpropionic acid Chemical Properties
Melting point 39-41 °C(lit.)
Boiling point 167-168 °C23 mm Hg(lit.)
density 1.065 g/mL at 25 °C(lit.)
refractive index 1.5155 (estimate)
Fp >230 °F
pka4.69±0.10(Predicted)
form Crystalline Powder or Crystals
color White to light yellow
InChIInChI=1S/C10H12O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
InChIKeyMCIIDRLDHRQKPH-UHFFFAOYSA-N
SMILESC1(=CC=CC=C1)CC(C)C(=O)O
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 3
HS Code 29163900
MSDS Information
ProviderLanguage
2-Benzylpropionic acid English
SigmaAldrich English
ACROS English
2-Benzylpropionic acid Usage And Synthesis
Chemical Propertieswhite to light yellow crystalline powder or
Usesα-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. 1 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. 2 It may be used in the study to investigate the selectivity of the sensor based on imprinted poly( o -phenylenediamine) (iPoPD).
Usesα-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).
General Descriptionα-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.
2-Benzylpropionic acid Preparation Products And Raw materials
Raw materialsCIS-BETA-METHYLSTYRENE-->2-Phenylbutyric acid
Diethyl benzylmalonate TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID Benzyltriethylammonium chloride Benzylmalonic acid 1,2,3,4-TETRAHYDRO-2-NAPHTHOIC ACID diethyl (3,4,5-trimethoxybenzoyl)malonate Methyldopa Folic acid Benzyltrimethylammonium chloride Cinnamyl cinnamate α-Lipoic Acid ETHYL 2-BENZYLACETOACETATE DL-ALPHA-METHYLTYROSINE N,N-Dimethylbenzylamine 2-Amino-2-methyl-3-phenylpropionic acid DIBENZYLTOLUENE α-Methylhydrocinnamic acid Citric acid

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