2-Phenylpropionic acid - CAS 492-37-5

Catalog:	BB026667
Product Name:	2-Phenylpropionic acid
CAS:	492-37-5
Synonyms:	2-phenylpropanoic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-phenylpropanoic acid
Description:	Used in the preparation of ibuprofen derivatives for their anti-inflammatory activity. Also used in nucleation inhibitors in Dutch resolution of diastereomers.
Molecular Weight:	150.17
Molecular Formula:	C9H10O2
Canonical SMILES:	CC(C1=CC=CC=C1)C(=O)O
InChI:	InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChI Key:	YPGCWEMNNLXISK-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD00063140
LogP:	1.87470

Publication Number	Title	Priority Date
US-11033516-B1	Combination therapies with disulfiram	20200918
EP-3838345-A1	Macrocyclic peptides	20191220
EP-3838912-A1	Retro-inverso peptides	20191220
WO-2021123047-A1	Macrocyclic peptides	20191220
WO-2021123050-A1	Retro-inverso peptides	20191220

PMID	Publication Date	Title	Journal
22307885	20120701	Multiplicity of genes for aromatic ring-hydroxylating dioxygenases in Mycobacterium isolate KMS and their regulation	Biodegradation
22048846	20120301	Regioselective glucosidation of trans-resveratrol in Escherichia coli expressing glucosyltransferase from Phytolacca americana	Biotechnology letters
21805975	20110921	High-yielding aqueous 18F-labeling of peptides via Al18F chelation	Bioconjugate chemistry
21585379	20110601	Investigation into drug release from colon-specific azoreductase-activated steroid prodrugs using in-vitro models	The Journal of pharmacy and pharmacology
21287693	20110401	Analysis of methyloxime derivatives of intact esters of testosterone and boldenone in equine plasma using ultra high performance liquid chromatography tandem mass spectrometry	Drug testing and analysis

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.068079557
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9