GLYCINE, N-(m-NITROPHENYL)-, ETHYL ESTER

Base Information

• Chemical Name: GLYCINE, N-(m-NITROPHENYL)-, ETHYL ESTER
• CAS No.: 3589-58-0
• Molecular Formula: C10H12N2O4
• Molecular Weight: 224.216
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID20189447
• Nikkaji Number: J127.641G
• Wikidata: Q83061541
• Mol file: 3589-58-0.mol

Synonyms:GLYCINE, N-(m-NITROPHENYL)-, ETHYL ESTER;ethyl 2-(3-nitroanilino)acetate;Ethyl N-(m-nitrophenyl)glycinate;3589-58-0;BRN 2811849;Glycine, N-(3-nitrophenyl)-, ethyl ester;N-(m-Nitrophenyl)glycine ethyl ester;ethyl {3-nitroanilino}acetate;ethyl 3-nitrophenylglycinate;SCHEMBL641425;DTXSID20189447;FOBXNGRQPJUTNJ-UHFFFAOYSA-N;N-(3-Nitrophenyl)glycine ethyl ester;AKOS009135988;LS-72775;(3-nitro-phenylamino)-acetic acid ethyl ester;AG-205/05827037

Chemical Property of GLYCINE, N-(m-NITROPHENYL)-, ETHYL ESTER

Chemical Property:

• Vapor Pressure: 4.76E-05mmHg at 25°C
• Boiling Point: 349.2°C at 760 mmHg
• Flash Point: 165°C
• PSA: 84.15000
• Density: 1.29g/cm³
• LogP: 2.16600
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 224.07970687
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

95% ^*data from raw suppliers

ETHYL-2-[(3-NITROPHENYL)AMINO]ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CNC1=CC(=CC=C1)[N+](=O)[O-]

Technology Process of GLYCINE, N-(m-NITROPHENYL)-, ETHYL ESTER

There total 7 articles about GLYCINE, N-(m-NITROPHENYL)-, ETHYL ESTER 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: 61.0%

diazoacetic acid ethyl ester (623-73-4) + 3-nitro-aniline (99-09-2) → N-(3-nitro-phenyl)-glycine ethyl ester (3589-58-0) + N,N-bis(2-ethoxy-2-oxo-1-ethyl)-3-nitrophenylamine (117121-16-1)

Guidance literature:

With dirhodium tetraacetate; In benzene; 1.) from 45 to 50 deg C, 30 min, 2.) reflux, 2 h;

DOI:10.1021/jo00259a033

Reference yield:

hydrochloric ethanol + (R/S)-(3-nitrophenyl)glycine (10242-06-5) → N-(3-nitro-phenyl)-glycine ethyl ester (3589-58-0)

Guidance literature:

With sodium carbonate; In ethanol; water;

Reference yield:

ethyl bromoacetate (105-36-2) + 3-nitro-aniline (99-09-2) → N-(3-nitro-phenyl)-glycine ethyl ester (3589-58-0)

Guidance literature:

With ethanol; sodium acetate;

DOI:10.1039/jr9460000591

upstream raw materials:

ethanol

(R/S)-(3-nitrophenyl)glycine

chloroacetic acid ethyl ester

3-nitro-aniline

Downstream raw materials:

2-amino-2-(3-nitrophenyl)-1-ethanol

(3-nitro-phenyl-N-(t-butylaminosulfonyl)amino)-acetic acid ethyl ester

2-((3-nitrophenyl)amino)acetohydrazide