4-Methoxy-2-nitroaniline

Base Information

• Chemical Name: 4-Methoxy-2-nitroaniline
• CAS No.: 96-96-8
• Molecular Formula: C7H8N2O3
• Molecular Weight: 168.152
• Hs Code.: Oral rat LD50: 14100 mg/kg
• European Community (EC) Number: 202-547-2
• NSC Number: 5509
• UNII: 1UYX3YYQ1G
• DSSTox Substance ID: DTXSID3044750
• Nikkaji Number: J96.208B
• Wikidata: Q27121415
• Metabolomics Workbench ID: 57145
• ChEMBL ID: CHEMBL3184419
• Mol file: 96-96-8.mol

Synonyms:4-methoxy-2-nitroaniline;4M2NA compound

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Chemical Property of 4-Methoxy-2-nitroaniline

Chemical Property:

• Appearance/Colour: orange to red powder
• Vapor Pressure: 9.93E-05mmHg at 25°C
• Melting Point: 123-126 °C(lit.)
• Refractive Index: 1.601
• Boiling Point: 338.3 °C at 760 mmHg
• PKA: 0.96±0.10(Predicted)
• Flash Point: 158.4 °C
• PSA: 81.07000
• Density: 1.318 g/cm³
• LogP: 2.29000
• Water Solubility.: slightly soluble
• XLogP3: 1.9
• 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:

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+,T
• Statements: 26/27/28-33-52/53
• Safety Statements: 28-36/37-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: COC1=CC(=C(C=C1)N)[N+](=O)[O-]
• Uses: Toxic to some wild and domestic birds and mice. Molluscicidal activity 4-Methoxy-2-nitroaniline is an aniline compound used in the synthesis of dyes and pigments. It has also been shown to act as a molluscicidal agent and has been used in hemolytic anemia studies. Also used as an intermediate for the synthesis of dyes, pigments and other chemical compounds.

Technology Process of 4-Methoxy-2-nitroaniline

There total 41 articles about 4-Methoxy-2-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: 95.0%

N-(2-nitro-4-methoxyphenyl) 2-pyridinecarboxamide → 4-methoxy-2-nitroaniline (96-96-8)

Guidance literature:

With sodium hydroxide; In ethanol; at 90 ℃; for 8h;

DOI:10.1016/j.tet.2019.01.011

Reference yield: 90.0%

4-methoxy-aniline (104-94-9) → 4-methoxy-2-nitroaniline (96-96-8)

Guidance literature:

With nickel ammonium sulfate; nitric acid; In chloroform; water; at 20 ℃; for 3h;

DOI:10.1081/SCC-100103545

Reference yield: 90.0%

4-hydroxy-2-nitroaniline (610-81-1) + methyl iodide (74-88-4) → 4-methoxy-2-nitroaniline (96-96-8)

Guidance literature:

4-hydroxy-2-nitroaniline; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1002/cmdc.201400040

upstream raw materials:

methanol

4-methoxy-2-nitroacetanilide

tetramethylammonium

4-hydroxy-2-nitroaniline

Downstream raw materials:

acetoacetic acid-(4-methoxy-2-nitro-anilide)

N-(4-methoxy-2-nitro-phenyl)-alanine

3-methyl-isoxazole-4,5-dione 4-[(4-methoxy-2-nitro-phenyl)-hydrazone]

3-[(4-Methoxy-2-nitro-phenyl)-hydrazono]-piperidin-2-one