2,2'-(4-Nitro-1,2-phenylene)diacetamide

Base Information

• Chemical Name: 2,2'-(4-Nitro-1,2-phenylene)diacetamide
• CAS No.: 30152-85-3
• Molecular Formula: C10H11N3O4
• Molecular Weight: 237.215
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID10701859
• Wikidata: Q82633630
• Mol file: 30152-85-3.mol

Synonyms:DTXSID10701859;2,2'-(4-Nitro-1,2-phenylene)diacetamide

Chemical Property of 2,2'-(4-Nitro-1,2-phenylene)diacetamide

Chemical Property:

• Boiling Point: 529.5±45.0 °C(Predicted)
• PKA: 13.34±0.70(Predicted)
• PSA: 133.98000
• Density: 1.416±0.06 g/cm3(Predicted)
• LogP: 2.47300
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 237.07495584
• Heavy Atom Count: 17
• Complexity: 326

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2'-(4-Nitro-1,2-phenylene)diacetamide

There total 5 articles about 2,2'-(4-Nitro-1,2-phenylene)diacetamide 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: 94.0%

acetyl chloride (75-36-5) + 4-Nitrophenylene-1,2-diamine (99-56-9) → N,N'-diacetyl-4-nitro-1,2-phenylenediamine (30152-85-3)

Guidance literature:

for 6h; Heating;

DOI:10.1002/1522-2675(20001108)83:11<2926::AID-HLCA2926>3.0.CO;2-6

Reference yield: 80.0%

N,N'-(o-phenylene)di(acetamide) (2050-85-3) → N,N'-diacetyl-4-nitro-1,2-phenylenediamine (30152-85-3)

Guidance literature:

With sulfuric acid; nitric acid; at -10 ℃; for 3h;

Reference yield:

N-(2-aminophenyl)acetamide (34801-09-7) → N,N'-diacetyl-4-nitro-1,2-phenylenediamine (30152-85-3)

Guidance literature:

Multi-step reaction with 2 steps

1: water

2: HNO₃+H₂SO₄ / 5 - 10 °C

With sulfuric acid; water; nitric acid;

upstream raw materials:

N,N'-(o-phenylene)di(acetamide)

acetyl chloride

4-Nitrophenylene-1,2-diamine

N-(2-aminophenyl)acetamide

Downstream raw materials:

2-methyl-5-nitrobenzimidazole

1,2,4-triaminobenzene N¹,N²-diacetate

5-acetamido-2-methylbenzimidazole

1,2,4-triaminobenzene N¹,N²,N⁴-triacetate

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