Glycine, N-(3-nitrobenzoyl)-

Base Information

• Chemical Name: Glycine, N-(3-nitrobenzoyl)-
• CAS No.: 617-10-7
• Molecular Formula: C9H8N2O5
• Molecular Weight: 224.173
• Hs Code.: 2924299090
• NSC Number: 5409
• DSSTox Substance ID: DTXSID70977270
• Nikkaji Number: J95.684H
• Wikidata: Q82962404
• ChEMBL ID: CHEMBL414823
• Mol file: 617-10-7.mol

Synonyms:617-10-7;(3-Nitro-benzoylamino)-acetic acid;Glycine, N-(3-nitrobenzoyl)-;2-[(3-nitrobenzoyl)amino]acetic acid;2-(3-Nitrobenzamido)acetic acid;2-[(3-nitrophenyl)formamido]acetic acid;n-(3-nitrobenzoyl)glycine;N-[(3-nitrophenyl)carbonyl]glycine;m-nitrohippuric acid;m-Nitrohippursaure;NSC5409;NSC 5409;3-nitrobenzoyl glycine;3-nitro-benzoyl glycine;Oprea1_803674;CHEMBL414823;SCHEMBL6777037;2-(3-Nitrobenzamido)aceticacid;(3-nitrobenzoylamino)acetic acid;DTXSID70977270;[(3-nitrobenzoyl)amino]acetic acid;NSC-5409;BBL036194;CCG-44110;STL483029;AKOS000114530;VS-13362;N-[Hydroxy(3-nitrophenyl)methylidene]glycine;EN300-00089;SR-01000409176;SR-01000409176-1;SR-01000409176-2;Z56823546

Chemical Property of Glycine, N-(3-nitrobenzoyl)-

Chemical Property:

• Vapor Pressure: 5.84E-11mmHg at 25°C
• Boiling Point: 503.5°C at 760 mmHg
• Flash Point: 258.3°C
• PSA: 112.22000
• LogP: 1.32330
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 224.04332136
• Heavy Atom Count: 16
• Complexity: 299

Purity/Quality:

98%min ^*data from raw suppliers

2-[(3-nitrophenyl)formamido]aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)O

Technology Process of Glycine, N-(3-nitrobenzoyl)-

There total 10 articles about Glycine, N-(3-nitrobenzoyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

aqueous NaCl + glycine (56-40-6,18875-39-3,25718-94-9) + m-nitrobenzoic acid chloride (121-90-4) → 3-nitro-benzoyl glycine (617-10-7)

Guidance literature:

With hydrogenchloride; potassium hydroxide; In water; acetonitrile;

Reference yield: 90.0%

→ 3-nitro-benzoyl glycine (617-10-7)

Guidance literature:

Reference yield:

glycine (56-40-6,18875-39-3,25718-94-9) + m-nitrobenzoic acid chloride (121-90-4) → 3-nitro-benzoyl glycine (617-10-7)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

Hippuric Acid

N-(3-nitro-benzoyl)-glycine ethyl ester

glycine

m-nitrobenzoic acid chloride

Downstream raw materials:

3,3'-{4-[2-(3-nitro-phenyl)-5-oxo-oxazol-4-ylidenemethyl]-phenylazanediyl}-bis-propionitrile

3,3'-{3-methyl-4-[2-(3-nitro-phenyl)-5-oxo-oxazol-4-ylidenemethyl]-phenylazanediyl}-bis-propionitrile

4-[4-(benzyl-methyl-amino)-benzylidene]-2-(3-nitro-phenyl)-4H-oxazol-5-one

(3-Nitro-benzoylamino)-acetic acid 4-nitro-phenyl ester

Refernces

• 1、 Pareek, Alok K.,Joseph,Seth, Daya S.. "Novel synthesis and characterization of some new-2-(R) phenyl- 4-(-4-bromo-2-fluoro benzylidene)-oxazol-5-ones". experimental part. p. 1533 - 1536. Retrieved 2011/10/12.
• 2、 -. "META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS". . . Retrieved 2008/06/13.