Ethyl (6-amino-4-((2-(hydroxyimino)-1-methyl-2-phenylethyl)amino)-5-nitro-2-pyridinyl)carbamate

Base Information

• Chemical Name: Ethyl (6-amino-4-((2-(hydroxyimino)-1-methyl-2-phenylethyl)amino)-5-nitro-2-pyridinyl)carbamate
• CAS No.: 83269-20-9
• Molecular Formula: C17H20N6O5
• Molecular Weight: 388.3779
• NSC Number: 370174
• UNII: 580P33ERLY
• ChEMBL ID: CHEMBL420730
• Mol file: 83269-20-9.mol

Synonyms:580P33ERLY;NSC370174;83269-20-9;NSC 370174;UNII-580P33ERLY;NSC-370174;Carbamic acid, (6-amino-4-(2-(3-(hydroxyimino)-3-phenyl)propyl)amino)-5-nitro-2-pyridinyl-, ethyl ester;Ethyl (6-amino-4-((2-(hydroxyimino)-1-methyl-2-phenylethyl)amino)-5-nitro-2-pyridinyl)carbamate;ethyl N-[6-amino-4-[[(2E)-2-hydroxyimino-1-methyl-2-phenyl-ethyl]amino]-5-nitro-2-pyridyl]carbamate;CHEMBL420730;SCHEMBL13327732;CARBAMIC ACID, (6-AMINO-4-((2-(HYDROXYIMINO)-1-METHYL-2-PHENYLETHYL)AMINO)-5-NITRO-2-PYRIDINYL)-, ETHYL ESTER;Carbamic acid, 6-amino-4-[[2-[3-(hydroxyimino)-3-phenyl]propyl]amino]-5-nitro-2-pyridinyl-, ethyl ester;Carbamic acid,6-amino-5-nitro-4-[(1-phenyl-1-oxo-2- propyl)-amino]pyridin-2-yl-,ethyl ester,oxime,hydrate [5:1]

Chemical Property of Ethyl (6-amino-4-((2-(hydroxyimino)-1-methyl-2-phenylethyl)amino)-5-nitro-2-pyridinyl)carbamate

Chemical Property:

• Vapor Pressure: 7.72E-16mmHg at 25°C
• Boiling Point: 612.1°Cat760mmHg
• Flash Point: 324°C
• Density: 1.44g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 388.14951776
• Heavy Atom Count: 28
• Complexity: 563

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC1=NC(=C(C(=C1)NC(C)C(=NO)C2=CC=CC=C2)[N+](=O)[O-])N
• Isomeric SMILES: CCOC(=O)NC1=NC(=C(C(=C1)NC(C)/C(=N/O)/C2=CC=CC=C2)[N+](=O)[O-])N

Technology Process of Ethyl (6-amino-4-((2-(hydroxyimino)-1-methyl-2-phenylethyl)amino)-5-nitro-2-pyridinyl)carbamate

There total 1 articles about Ethyl (6-amino-4-((2-(hydroxyimino)-1-methyl-2-phenylethyl)amino)-5-nitro-2-pyridinyl)carbamate 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: 31.0%

ethyl (6-amino-4-chloro-5-nitropyridin-2-yl)carbamate (6506-86-1) + α-aminopropiophenone oxime (83269-21-0) → ethyl 6-amino-4-<(1-methyl-2-oxo-2-phenylethyl)amino>-5-nitro-2-pyridinecarbamate oxime (83269-20-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In ethanol; for 2h; Heating;

DOI:10.1021/jm00355a018

Reference yield: 98.0%

ethyl 6-amino-4-<(1-methyl-2-oxo-2-phenylethyl)amino>-5-nitro-2-pyridinecarbamate oxime (83269-20-9) → ethyl 6-amino-4-<(1-methyl-2-oxo-2-phenylethyl)amino>-5-nitro-2-pyridinecarbamate (83269-09-4)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 7h; Heating;

DOI:10.1021/jm00355a018

Reference yield: 64.0%

ethyl 6-amino-4-<(1-methyl-2-oxo-2-phenylethyl)amino>-5-nitro-2-pyridinecarbamate oxime (83269-20-9) → 2,6-diamino-4-<(1-methyl-2-oxo-2-phenylethyl)amino>-5-nitropyridine oxime

Guidance literature:

With hydrazine; Ambient temperature;

DOI:10.1021/jm00130a023

upstream raw materials:

ethyl (6-amino-4-chloro-5-nitropyridin-2-yl)carbamate

α-aminopropiophenone oxime

Downstream raw materials:

ethyl 6-amino-4-<(1-methyl-2-oxo-2-phenylethyl)amino>-5-nitro-2-pyridinecarbamate

5,7-diamino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazine

2,6-diamino-4<(1-methyl-2-oxo-2-phenylethyl)amino>-3-nitropyridine ine

4,6-diamino-2-methyl-7-nitro-3-phenyl-1H-pyrrolo<3,2-c>pyridine