Benzamide, N-(acetyloxy)-N-((4-nitrophenyl)methoxy)-

Base Information

• Chemical Name: Benzamide, N-(acetyloxy)-N-((4-nitrophenyl)methoxy)-
• CAS No.: 139259-98-6
• Molecular Formula: C16H14N2O6
• Molecular Weight: 330.297
• UNII: 8K5U3JED6A
• DSSTox Substance ID: DTXSID70160988
• Nikkaji Number: J436.387F
• Wikidata: Q27270661
• Mol file: 139259-98-6.mol

Synonyms:CCRIS 8772;N-Acetoxy-N-((4-nitrobenzyl)oxy)benzamide;UNII-8K5U3JED6A;139259-98-6;8K5U3JED6A;Benzamide, N-(acetyloxy)-N-((4-nitrophenyl)methoxy)-;N-(Acetyloxy)-N-((4-nitrophenyl)methoxy)benzamide;N-(ACETYLOXY)-N-[(4-NITROPHENYL)METHOXY]BENZAMIDE;DTXSID70160988;N-Acetoxy-N-(4-nitrobenzyloxy)benzamide;LS-25240;Q27270661;ACETIC ACID, BENZOYL((4-NITROPHENYL)METHOXY)AZANYL ESTER

Chemical Property of Benzamide, N-(acetyloxy)-N-((4-nitrophenyl)methoxy)-

Chemical Property:

• Vapor Pressure: 3.45E-09mmHg at 25°C
• Boiling Point: 475°Cat760mmHg
• Flash Point: 241.1°C
• Density: 1.355g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 330.08518617
• Heavy Atom Count: 24
• Complexity: 450

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)ON(C(=O)C1=CC=CC=C1)OCC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Benzamide, N-(acetyloxy)-N-((4-nitrophenyl)methoxy)-

There total 4 articles about Benzamide, N-(acetyloxy)-N-((4-nitrophenyl)methoxy)- 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: 93.0%

sodium acetate (127-09-3) + p-nitrobenzyl N-chlorobenzohydroxamate (139259-85-1) → p-nitrobenzyl N-acetoxybenzogydroxamate (139259-98-6)

Guidance literature:

In acetone; Ambient temperature;

Reference yield:

benzoic acid ethyl ester (93-89-0,99341-95-4) → p-nitrobenzyl N-acetoxybenzogydroxamate (139259-98-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 55 percent / potassium hydroxide, hydroxylamine hydrochloride / methanol

2: 94 percent / sodium carbonate / methanol; H₂O

3: tert-butyl hypochlorite / CH₂Cl₂ / 5 h

4: 93 percent / acetone / Ambient temperature

With potassium hydroxide; tert-butylhypochlorite; hydroxylamine hydrochloride; sodium carbonate; In methanol; dichloromethane; water; acetone;

Reference yield:

N-Benzoyl-O-p-nitrobenzylhydroxylamine (64583-54-6) → p-nitrobenzyl N-acetoxybenzogydroxamate (139259-98-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tert-butyl hypochlorite / CH₂Cl₂ / 5 h

2: 93 percent / acetone / Ambient temperature

With tert-butylhypochlorite; In dichloromethane; acetone;

upstream raw materials:

sodium acetate

p-nitrobenzyl N-chlorobenzohydroxamate

benzoic acid ethyl ester

N-Benzoyl-O-p-nitrobenzylhydroxylamine

Downstream raw materials:

acetic acid

4-nitrobenzyl chloride

Benzohydroxamic acid

4-nitrobenzyl benzoate