N-(2-nitrophenoxy)propan-2-imine

Base Information

• Chemical Name: N-(2-nitrophenoxy)propan-2-imine
• CAS No.: 13680-05-2
• Molecular Formula: C₉H₁₀N₂O₃
• Molecular Weight: 194.19
• NSC Number: 280765
• DSSTox Substance ID: DTXSID30314127
• Mol file: 13680-05-2.mol

Synonyms:N-(2-nitrophenoxy)propan-2-imine;13680-05-2;NSC 280765;NSC280765;DTXSID30314127;STL573419;AKOS003296273;NSC-280765

Chemical Property of N-(2-nitrophenoxy)propan-2-imine

Chemical Property:

• Vapor Pressure: 0.00283mmHg at 25°C
• Boiling Point: 294.6°Cat760mmHg
• Flash Point: 132°C
• Density: 1.18g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 194.06914219
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NOC1=CC=CC=C1[N+](=O)[O-])C

Technology Process of N-(2-nitrophenoxy)propan-2-imine

There total 2 articles about N-(2-nitrophenoxy)propan-2-imine 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: 46.0%

ortho-nitrofluorobenzene (1493-27-2,127723-77-7) + acetone oxime (127-06-0) → O-<(2-Nitro)phenyl>acetone oxime (13680-05-2)

Guidance literature:

With sodium ethanolate; In ethanol; for 5h; Ambient temperature;

Reference yield:

→ O-<(2-Nitro)phenyl>acetone oxime (13680-05-2)

Guidance literature:

2-Nitro-1-chlorbenzol, Acetonoxim;

Reference yield: 32.0%

O-<(2-Nitro)phenyl>acetone oxime (13680-05-2) → 2-methyl-7-nitrobenzofuran (13680-09-6) + 1-(2-Hydroxy-3-nitro-phenyl)-propan-2-one + 1,3-Bis-(2-hydroxy-3-nitro-phenyl)-propan-2-one

Guidance literature:

With hydrogenchloride; In ethanol; for 7h; Heating;

upstream raw materials:

ortho-nitrofluorobenzene

acetone oxime

Downstream raw materials:

2-methyl-7-nitrobenzofuran

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