617-10-7

Basic information

• Product Name: (3-NITRO-BENZOYLAMINO)-ACETIC ACID
• Synonyms: Glycine, N-(3-nitrobenzoyl)-;2-[(3-nitrophenyl)formamido]acetic Acid
• CAS NO: 617-10-7
• Molecular Formula: C₉H₈N₂O₅
• Molecular Weight: 224.17
• Mol File: 617-10-7.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 503.5°C at 760 mmHg
• Flash Point: 258.3°C
• Appearance: /
• Vapor Pressure: 5.84E-11mmHg at 25°C
• CAS DataBase Reference: (3-NITRO-BENZOYLAMINO)-ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (3-NITRO-BENZOYLAMINO)-ACETIC ACID(617-10-7)
• EPA Substance Registry System: (3-NITRO-BENZOYLAMINO)-ACETIC ACID(617-10-7)

Safety Data

• Hazardous Substances Data: 617-10-7(Hazardous Substances Data)

Usage

General Description

(3-Nitro-benzoylamino)-acetic acid is a chemical compound with the molecular formula C9H8N2O5. It is a derivative of benzoic acid and contains a nitro group, an amide group, and a carboxylic acid group. (3-NITRO-BENZOYLAMINO)-ACETIC ACID is used in organic synthesis and research as a building block for the preparation of various pharmaceuticals and agrochemicals. It has potential applications in the development of new drugs due to its unique structure and properties. Additionally, it can be utilized as a reagent in the synthesis of other organic compounds for various industrial and scientific purposes.

InChI:InChI=1/C9H8N2O5/c12-8(13)5-10-9(14)6-2-1-3-7(4-6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13)/p-1

Upstream product

• 495-69-2 Hippuric Acid 
• 60247-35-0 N-(3-nitro-benzoyl)-glycine ethyl ester 
• 56-40-6 glycine 
• 121-90-4 m-nitrobenzoic acid chloride 
• 75152-22-6 2-(3-Nitro-phenyl)-4H-oxazol-5-one 
• 121-92-6 3-nitrobenzoic acid 

Downstream Products

• 188805-33-6 ethyl β-[[2-[[(3-nitrophenyl)carbonyl]amino]acetyl]amino]pyridine-3-propanoate 
• 1281969-76-3 C₁₆H₈BrFN₂O₄ 
• 188812-14-8 m-aminohippuric acid HCl 
• 188805-32-5 N-[2-[[[3-[[[(phenylmethyl)amino]carbonyl]amino]phenyl]carbonyl]amino]acetyl]-β-alanine 
• 538-32-9 benzylurea 
• 133604-61-2 (3-Benzoylamino-benzoylamino)-acetic acid 
• 39052-68-1 4-[4-(benzyl-methyl-amino)-benzylidene]-2-(3-nitro-phenyl)-4H-oxazol-5-one 
• 20448-30-0 3,3'-{3-methyl-4-[2-(3-nitro-phenyl)-5-oxo-oxazol-4-ylidenemethyl]-phenylazanediyl}-bis-propionitrile 
• 19646-41-4 3,3'-{4-[2-(3-nitro-phenyl)-5-oxo-oxazol-4-ylidenemethyl]-phenylazanediyl}-bis-propionitrile 
• 4211-96-5 2-(3-nitro-phenyl)-4-thiophen-2-ylmethylene-4H-oxazol-5-one 
• 20938-64-1 N-(3-Aminobenzoyl)glycine 
• 60247-35-0 N-(3-nitro-benzoyl)-glycine ethyl ester 

Relevant articles and documents

Exploration of secondary and tertiary pharmacophores in unsymmetrical N,N′-diaryl urea inhibitors of soluble epoxide hydrolase

The impact of various secondary and tertiary pharmacophores on in vitro potency of soluble epoxide hydrolase (sEH) inhibitors based on the unsymmetrical urea scaffold 1 is discussed. N,N′-Diaryl urea inhibitors of soluble epoxide hydrolase exhibit subtle variations in inhibitory potency depending on the secondary pharmacophore but tolerate considerable structural variation in the second linker/tertiary pharmacophore fragment.

A facile synthesis of N-formylbenzamides by oxidative decarboxylation of N-aroylglycine induced by Ag+/S2O82-

A facile method is described for the synthesis of N-formylbenzamides by oxidative decarboxylation of N-aroylglycine using catalytic silver(I) and 2 equivalents of ammonium persulfate as an oxidant in a biphasic system (CHCl 3/water).

Relative Structure-Inhibition Analyses of the N-Benzoyl and N-(Phenylsulfonyl) Amino Acid Aldose Reductase Inhibitors

A number of N-benzoyl amino acids were synthesized and tested to compare structure-inhibition relationships with the isosteric N-(phenylsulfonyl) amino acid (PS-amino acid) aldose reductase inhibitors.Inhibition analyses with these series reveals that their kinetic mechanisms of inhibition are similar, but that significant differences in structure-inhibition relationships exist.For example, while the PS-alanines and PS-2-phenylglycines produce enantioselective inhibition (S > R), no consistent pattern of enantioselectivity is observed with the isosteric N-benzoylalanines and 2-phenylglycines.Also, N-methyl and N-phenyl substitution in the PS-amino acid series does not substantially alter inhibitory activity, while similar substitutions in the N-benzoyl series (particularly N-phenyl) results in a significant increase in inhibitory activity.Proton NMR analysis of the N-benzoylsarcosines reveals that these compounds exist as a mixture of rotamers in solutions including the enzyme assay buffer and that the preferred conformer is one in which the carboxymethyl moiety is trans to the aromatic ring.Similar analyses with the N-benzoyl-N-phenylglycines demonstrate that these derivatives exist exclusively in the trans rotameric conformation in solution.No such N-substituent effects on conformation were observed in the PS-amino acid series.These results suggest that the differences in structure-inhibition trends between these structurally related series may result from the effect of substituents on preferred conformation.