N,2-Dihydroxy-5-nitrobenzamide

Base Information

• Chemical Name: N,2-Dihydroxy-5-nitrobenzamide
• CAS No.: 61494-42-6
• Molecular Formula: C7H6N2O5
• Molecular Weight: 198.135
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30438534
• Wikidata: Q82254296
• ChEMBL ID: CHEMBL2436407
• Mol file: 61494-42-6.mol

Synonyms:N,2-Dihydroxy-5-nitrobenzamide;61494-42-6;Oprea1_588126;5-nitro-salicylhydroxamic acid;CHEMBL2436407;SCHEMBL19490032;DTXSID30438534;MFCD00818219;AKOS003613314;DS-16026;CS-0062163;2-hydroxy-5-nitro-benzenecarbohydroxamic acid;F17458;A868697

Chemical Property of N,2-Dihydroxy-5-nitrobenzamide

Chemical Property:

• PKA: 5.52±0.16(Predicted)
• PSA: 118.87000
• Density: 1.636±0.06 g/cm3(Predicted)
• LogP: 1.51740
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 198.02767130
• Heavy Atom Count: 14
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

N,2-Dihydroxy-5-nitrobenzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NO)O

Technology Process of N,2-Dihydroxy-5-nitrobenzamide

There total 3 articles about N,2-Dihydroxy-5-nitrobenzamide 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: 30.0%

methyl 2-hydroxy-5-nitrobenzoate (17302-46-4) → 2-hydroxy-5-nitro-benzenecarbohydroxamic acid (61494-42-6)

Guidance literature:

With hydroxylamine hydrochloride; triethylamine; In water; dimethyl sulfoxide; at 50 ℃; for 3h;

DOI:10.1016/j.bmcl.2013.08.081

Reference yield:

5-nitrosalicylic acid (96-97-9) → 2-hydroxy-5-nitro-benzenecarbohydroxamic acid (61494-42-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 16 h / Reflux

2: sodium hydroxide; hydroxylamine hydrochloride / 1,4-dioxane / 16 h / 20 °C

With sulfuric acid; hydroxylamine hydrochloride; sodium hydroxide; In 1,4-dioxane;

DOI:10.1016/j.tetlet.2016.10.045

Reference yield:

→ 2-hydroxy-5-nitro-benzenecarbohydroxamic acid (61494-42-6)

Guidance literature:

B1: Methylester, NH2OH;

upstream raw materials:

methyl 2-hydroxy-5-nitrobenzoate

5-nitrosalicylic acid

Downstream raw materials:

2-(2-chloro-ethyl)-3-hydroxy-6-nitro-2,3-dihydro-benzo[e][1,3]oxazin-4-one

5-Nitro-3-hydroxy-1,2-benzisoxazol

5-nitro-1,2-benzoxazol-3-one

3-Chlor-5-nitro-1,2-benzisoxazol