4-Methoxy-3-nitroaniline

Base Information

• Chemical Name: 4-Methoxy-3-nitroaniline
• CAS No.: 577-72-0
• Molecular Formula: C7H8N2O3
• Molecular Weight: 168.152
• Hs Code.: 2922290090
• European Community (EC) Number: 926-145-8,684-537-1
• DSSTox Substance ID: DTXSID40206408
• Nikkaji Number: J154.691K
• Wikidata: Q72517181
• Mol file: 577-72-0.mol

Synonyms:4-Methoxy-3-nitroaniline;577-72-0;Benzenamine, 4-methoxy-3-nitro-;4-Amino-2-nitroanisole;p-Anisidine, 3-nitro-,;4-Methoxy-3-nitrobenzenamine;MFCD00134138;4-methoxy-3-nitro-aniline;3-nitro-4-methoxyaniline;4-methoxy-3-nitro-phenylamine;SCHEMBL2211964;DTXSID40206408;BBL002666;STK390544;AKOS000291329;AC-7301;CS-W002411;PS-3240;SY005564;A8226;AM20040759;FT-0632425;EN300-126274;A837301;AO-801/41077431;Q-102001;Z1201619226

Chemical Property of 4-Methoxy-3-nitroaniline

Chemical Property:

• Vapor Pressure: 2.82E-05mmHg at 25°C
• Melting Point: 46-47 °C
• Refractive Index: 1.601
• Boiling Point: 356.9 °C at 760 mmHg
• PKA: 3.33±0.10(Predicted)
• Flash Point: 169.7 °C
• PSA: 81.07000
• Density: 1.318 g/cm³
• LogP: 2.29000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 168.05349212
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methoxy-3-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)N)[N+](=O)[O-]

Technology Process of 4-Methoxy-3-nitroaniline

There total 17 articles about 4-Methoxy-3-nitroaniline 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: 98.1%

2,4-dinitroanisole (119-27-7) → 4-methoxy-3-nitroaniline (577-72-0)

Guidance literature:

With PdCu/graphene double-metal catalyst; at 60 ℃; for 0.583333h; under 7500.75 Torr; Pressure; Time; Reagent/catalyst;

Reference yield: 97.0%

4-Fluoro-3-nitroaniline (364-76-1) + sodium methylate (124-41-4) → 4-methoxy-3-nitroaniline (577-72-0)

Guidance literature:

In methanol; for 21h; Heating;

DOI:10.1021/jm000478d

Reference yield: 91.0%

p-methoxyanilinium nitrate (155863-54-0) → 4-methoxy-3-nitroaniline (577-72-0)

Guidance literature:

p-methoxyanilinium nitrate; With sulfuric acid; In dichloromethane; water; at 0 ℃; for 3h;

With ammonia; In water; at 20 ℃; pH=6 - 11;

upstream raw materials:

2,4-dinitroanisole

2-nitro-4-acetylamino-anisole

4-methoxyacetanilide

4-methoxy-aniline

Downstream raw materials:

N-(4-methoxy-3-nitro-phenyl)-N'-phenyl-urea

4-chloro-2-nitroanisole

4-methoxy-3-nitro-1-pentafluorophenylsulfonamidobenzene

3-Amino-4-methoxy-1-pentafluorophenylsulfonamidobenzene

Refernces

• 1、 -. "2 - Amino - 4 - acetamido anisole novel synthesis process (by machine translation)". . . Retrieved 2018/03/01.
• 2、 -. "Method for synthesizing 3-amino-4-methoxy acetanilide by binary alloy catalysis". Paragraph 0027; 0028; 0029; 0030; 0031; 0032; 0033-0054. . Retrieved 2017/04/29.