N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide

Base Information

• Chemical Name: N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
• CAS No.: 5771-00-6
• Molecular Formula: C7H9 N3
• Molecular Weight: 314.2928
• DSSTox Substance ID: DTXSID30352044
• Wikidata: Q82128988
• Mol file: 5771-00-6.mol

Synonyms:N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide;5771-00-6;CBMicro_032333;Cambridge id 5771006;DTXSID30352044;MFCD02077621;AKOS001598754;BIM-0032345.P001;SR-01000419513;SR-01000419513-1

Chemical Property of N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide

Chemical Property:

• Vapor Pressure: 3.55E-14mmHg at 25°C
• Boiling Point: 596.1°C at 760 mmHg
• Flash Point: 314.3°C
• PSA: 101.22000
• Density: 1.341g/cm³
• LogP: 3.41110
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 314.09027155
• Heavy Atom Count: 23
• Complexity: 440

Purity/Quality:

2-Pyridinecarboxaldehyde2-methylhydrazone 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2[N+](=O)[O-]

Technology Process of N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide

There total 2 articles about N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide 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: 85.0%

pyridine-2-carbaldehyde (1121-60-4) + methylhydrazine (60-34-4) → pyridine-2-carboxaldehyde methylhydrazone (5771-00-6)

Guidance literature:

at -78 - 80 ℃; for 3h;

DOI:10.1016/j.ica.2011.02.045

Reference yield:

→ pyridine-2-carboxaldehyde methylhydrazone (5771-00-6)

Guidance literature:

Pyridin-2-carbaldehyd, Methylhydrazinsulfat;

Reference yield: 60.0%

pyridine-2-carboxaldehyde methylhydrazone (5771-00-6) + 4-chlorobenzohydroximoyl chloride (28123-63-9) → 3-(4-Chloro-phenyl)-4-methyl-6-pyridin-2-yl-5,6-dihydro-4H-[1,2,4,5]oxatriazine

Guidance literature:

With triethylamine; In chloroform; 1.) from 0 deg C to -5 deg C, 1 h, 2.) RT, 30 min;

upstream raw materials:

pyridine-2-carbaldehyde

methylhydrazine

Downstream raw materials:

3-Methyl-5--1,3,4-thiadiazolidin-thion-2

5-(4-Chloro-phenyl)-2-methyl-6-pyridin-2-yl-1,2,5,6-tetrahydro-[1,2,4,5]tetrazine-3-carboxylic acid methyl ester

5-(4-Methoxy-phenyl)-2-methyl-6-pyridin-2-yl-1,2,5,6-tetrahydro-[1,2,4,5]tetrazine-3-carboxylic acid methyl ester

1-(2-Methyl-5-phenyl-6-pyridin-2-yl-1,2,5,6-tetrahydro-[1,2,4,5]tetrazin-3-yl)-ethanone