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4-(2-Oxo-2,3-dihydrobenzimidazol-1-yl)butyric Acid

4-(2-Oxo-2,3-dihydrobenzimidazol-1-yl)butyric Acid - CAS 3273-68-5

Catalog:	BB021390
Product Name:	4-(2-Oxo-2,3-dihydrobenzimidazol-1-yl)butyric Acid
CAS:	3273-68-5
Synonyms:	4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid; 4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid
Description:	4-(2-Oxo-2,3-dihydrobenzimidazol-1-yl)butyric Acid (CAS# 3273-68-5) is a compound useful in organic synthesis.
Molecular Weight:	220.22
Molecular Formula:	C11H12N2O3
Canonical SMILES:	C1=CC=C2C(=C1)NC(=O)N2CCCC(=O)O
InChI:	InChI=1S/C11H12N2O3/c14-10(15)6-3-7-13-9-5-2-1-4-8(9)12-11(13)16/h1-2,4-5H,3,6-7H2,(H,12,16)(H,14,15)
InChI Key:	PTNUQSFEJXMNOQ-UHFFFAOYSA-N
Density:	1.316 g/cm³
MDL:	MFCD06656423
LogP:	1.19440

Publication Number	Title	Priority Date
CN-113200922-A	Process for preparing 2, 3-dihydro-2-oxo-1H-benzimidazole-1-butyric acid	20210517
WO-2019207591-A1	One pot synthesis of 4-(1,2-dihydro-2-oxobenzo[d]imidazol-3-yl)butanoic acid, a key intermediate of zilpaterol	20180427
BR-112020021893-A2	synthesis of a single container of 4- (1,2-dihydro-2-oxobenzo [d] imidazol-3-yl) butanoic acid, a key intermediate of zilpaterol	20180427
US-2021238146-A1	One pot synthesis of 4-(1,2-dihydro-2-oxobenzo[d]imidazol-3-yl)butanoic acid, a key intermediate of zilpaterol	20180427
ZA-202006638-B	One pot synthesis of 4-(1,2-dihydro-2-oxobenzo[d]imidazol-3-yl)butanoic acid, a key intermediate of zilpaterol	20180427

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.08479225
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	220.08479225
Rotatable Bond Count:	4
Topological Polar Surface Area:	69.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6