N-(4-Hydroxy-3,5-dinitrophenyl)acetamide

Base Information

• Chemical Name: N-(4-Hydroxy-3,5-dinitrophenyl)acetamide
• CAS No.: 118828-85-6
• Molecular Formula: C8H7 N3 O6
• Molecular Weight: 241.16
• DSSTox Substance ID: DTXSID60152251
• Nikkaji Number: J519.859C
• Wikidata: Q83018881
• Mol file: 118828-85-6.mol

Synonyms:N-(4-Hydroxy-3,5-dinitrophenyl)acetamide;118828-85-6;Acetamide, N-(4-hydroxy-3,5-dinitrophenyl)-;N-Acetylisopicramic acid;DTXSID60152251

Chemical Property of N-(4-Hydroxy-3,5-dinitrophenyl)acetamide

Chemical Property:

• Vapor Pressure: 2.11E-06mmHg at 25°C
• Boiling Point: 382.6°Cat760mmHg
• Flash Point: 185.2°C
• Density: 1.667g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 241.03348495
• Heavy Atom Count: 17
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]

Technology Process of N-(4-Hydroxy-3,5-dinitrophenyl)acetamide

There total 6 articles about N-(4-Hydroxy-3,5-dinitrophenyl)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: 20.0%

4-acetaminophenol (103-90-2,8055-08-1) → 2,6-dinitro-4-acetylaminophenol (118828-85-6)

Guidance literature:

With poly(ethylene glycol)-N₂O₄; In dichloromethane; at 20 ℃; for 1.5h;

DOI:10.1080/00397910802136706

Reference yield:

4-acetaminophenol (103-90-2,8055-08-1) → N-acetyl-p-benzoquinoneimine (50700-49-7) + 4-acetylamino-6-diazo-2,4-cyclohexadienone (98555-06-7) + N-(4-hydroxy-3-nitrophenyl)acetamide (51288-37-0) + 2,6-dinitro-4-acetylaminophenol (118828-85-6) + p-benzoquinone (106-51-4)

Guidance literature:

With dinitrogen trioxide; at 37 ℃; for 1h; Product distribution; pH 3; under model stomach conditions; var. nitrite concn.s;

DOI:10.1248/cpb.36.4634

Reference yield:

4-acetamidophenyl benzoate (537-52-0) → 2,6-dinitro-4-acetylaminophenol (118828-85-6)

Guidance literature:

With sulfuric acid; nitric acid;

upstream raw materials:

4-acetaminophenol

4-acetamidophenyl benzoate

N-Acetyl-5-aminosalicylic acid

4-acetoxyacetanilide

Downstream raw materials:

2,6-dinitrophenol

acetic acid-(4-chloro-3,5-dinitro-anilide)

acetic acid-(3-amino-4-hydroxy-5-nitro-anilide)

isopicramic acid