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2-Oxo-1-benzimidazolinebutyric Acid

2-Oxo-1-benzimidazolinebutyric Acid Structure
CAS No.
3273-68-5
Chemical Name:
2-Oxo-1-benzimidazolinebutyric Acid
Synonyms
4-(2-oxo-2,3-dihydro-1H-benzo[d]iMidazol-1-yl)butanoic acid;Buzolic acid;2-Oxo-;Buzolic acid, >=95%;Nicotinamide Impurity 223;4-(2-Oxo-3H-benziMidazol-...;(2-Oxo-3H-benziMidazol-1-...;2-Oxo-1-benzimidazolinebutyric Acid;Benzene,1-fluoro-4-[(1E)-1-propen-5-yl]-;4-(2-Oxo-3H-benziMidazol-1-yl)butanoic acid
CBNumber:
CB3351499
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.22
MOL File:
3273-68-5.mol
Modify Date:
2024/7/11 17:04:31

2-Oxo-1-benzimidazolinebutyric Acid Properties

Melting point 175-176℃
Boiling point 422.74℃[at 101 325 Pa]
Density 1.316
storage temp. Sealed in dry,Room Temperature
solubility DMSO (Slightly), Ethyl Acetate (Very Slightly, Heated), Methanol (Slightly)
pka 4.75±0.10(Predicted)
form Solid
color White to Pale Brown
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)
InChIKey PTNUQSFEJXMNOQ-UHFFFAOYSA-N
SMILES C1(=O)N(CCCC(O)=O)C2=CC=CC=C2N1
LogP 1.27

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS05,GHS02
Signal word  Danger
Hazard statements  H314-H225
Precautionary statements  P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
HazardClass  IRRITANT

2-Oxo-1-benzimidazolinebutyric Acid Chemical Properties,Uses,Production

Chemical Properties

White Solid

Uses

2-Oxo-1-benzimidazolinebutyric Acid (cas# 3273-68-5) is a compound useful in organic synthesis.

Synthesis

To a solution of the compound of Preparation 6 (152.0 g, 0.6 mol) in tetrahydrofuran (600 ml) was added concentrated hydrochloric acid (75 ml). The reaction mixture was stirred for 2 h and then poured into water (700 ml). The mixture was filtered, washing through with water (750 ml), and the solid material was dried overnight at 40°C. to give the title compound (156.0 g). 2-Oxo-1-benzimidazolinebutyric Acid, yield (156.0 g). 1H-NMR (d6-DMSO): 1.80-1.89 (2H), 2.20-2.25 (2H), 3.74-3.82 (2H), 6.96-7.01 (3H), 7.05-7.10 (1H)
	2-Oxo-1-benzimidazolinebutyric Acid synthesis

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2-Oxo-1-benzimidazolinebutyric Acid Spectrum

4-(2-OXO-2,3-DIHYDROBENZOIMIDAZOL-1-YL)BUTYRIC ACID 4-(2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)butanoic acid 4-2-oxo-2,3-hihydro-1H-benzimidazol-1-yl)butanoic acid 2-Oxo-1-benzimidazolinebutyric Acid 2-Oxo- Buzolic acid, >=95% 1H-BENZIMIDAZOLE-1-BUTANOIC ACID, 2,3-DIHYDRO-2-OXO 2,3-Dihydro-2-oxo-1H-benziMidazole-1-butyric acid 4-(2-Oxo-3H-benziMidazol-1-yl)butanoic acid (2-Oxo-3H-benziMidazol-1-... 4-(2-Oxo-3H-benziMidazol-... 4-(2-oxo-2,3-dihydro-1H-benziMidazol-1-yl)butanoic acid 4-(2-oxo-2,3-dihydrobenzo[d]iMidazol-1-yl)butanoic acid 2,3-Dihydro-2-oxo-1H-benzimidazole-1-butanoic acid 4-(2-Oxo-2,3-dihydrobenziMidazol-1-yl)butyric Acid 4-(2-oxo-2,3-dihydro-1H-1,3- benzodiazol-1-yl)butanoic acid 3273-68-5 1H-BENZIMIDAZOLE-1-BUTANOIC ACID, 2,3-DIHYDRO-2-OXO Buzolic acid 4-(2-oxo-2,3-dihydro-1H-benzo[d]iMidazol-1-yl)butanoic acid Benzene,1-fluoro-4-[(1E)-1-propen-5-yl]- Nicotinamide Impurity 223 3273-68-5 Aliphatics Aromatics Heterocycles