4-Methoxy-2-nitrobenzoic acid

Base Information

• Chemical Name: 4-Methoxy-2-nitrobenzoic acid
• CAS No.: 33844-21-2
• Molecular Formula: C8H7NO5
• Molecular Weight: 197.147
• Hs Code.: 2918990090
• European Community (EC) Number: 627-668-1
• NSC Number: 149936
• DSSTox Substance ID: DTXSID00302278
• Nikkaji Number: J2.488.356F
• Mol file: 33844-21-2.mol

Synonyms:4-Methoxy-2-nitrobenzoic acid;33844-21-2;2-Nitro-4-methoxybenzoic acid;4-Methoxy-2-nitro-benzoic acid;Benzoic acid, 4-methoxy-2-nitro-;MFCD04972109;2-Nitro-p-anisic acid;2-Nitro-4-methoxybenzoicacid;2-Nitroanisic acid;4-Methoxy-2-nitrobenzoicacid;nitro anisic acid;SCHEMBL147187;DTXSID00302278;BBL100319;NSC149936;STL553948;4-Methoxy-2-nitrobenzoic acid, 97%;AKOS000109352;AKOS015888130;AB20922;AC-9005;CS-W001541;NSC 149936;NSC-149936;DS-10566;A5997;AM20120543;BB 0244805;FT-0639133;M2828;EN300-208490;AE-641/00419029;J-515635

Chemical Property of 4-Methoxy-2-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 3.2E-06mmHg at 25°C
• Melting Point: 196.5-200.5 °C(lit.)
• Refractive Index: 1.588
• Boiling Point: 372.9 °C at 760 mmHg
• PKA: 2.46±0.25(Predicted)
• Flash Point: 179.3 °C
• PSA: 92.35000
• Density: 1.43 g/cm³
• LogP: 1.82480
• Storage Temp.: Keep Cold
• Solubility.: soluble in Methanol
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 197.03242232
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

98% ^*data from raw suppliers

4-Methoxy-2-nitrobenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methoxy-2-nitrobenzoic acid

There total 13 articles about 4-Methoxy-2-nitrobenzoic acid 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: 97.0%

4-methoxy-2-nitro-benzonitrile (38469-83-9) → 2-nitro-4-methoxybenzoic acid (33844-21-2)

Guidance literature:

With sodium hydroxide; at 95 - 100 ℃;

Reference yield: 80.0%

4-Methyl-3-nitroanisole (17484-36-5) → 2-nitro-4-methoxybenzoic acid (33844-21-2)

Guidance literature:

With hydrogenchloride; potassium permanganate; In water;

Reference yield:

methyl 4-methoxy-2-nitrobenzoate (181871-73-8) → 2-nitro-4-methoxybenzoic acid (33844-21-2)

Guidance literature:

methyl 4-methoxy-2-nitrobenzoate; With lithium hydroxide; water; In 1,4-dioxane; at 20 ℃; for 3h;

With hydrogenchloride; In 1,4-dioxane; water; pH=2 - ~ 4;

upstream raw materials:

4-Methyl-3-nitroanisole

4-methoxy-2-nitro-benzonitrile

1-(chloromethyl)-4-methoxy-2-nitrobenzene

sodium acetate

Downstream raw materials:

4-methoxy-2-nitro-benzoyl chloride

4-methoxyanthranilic acid

N-{5-[(cyclopropylamino)carbonyl]-2-methylphenyl}-4-methoxy-2-nitrobenzamide

3-(4'-methoxy-2'-nitrophenyl)-N-pivaloylindole

Refernces

• 1、 Fang, Kun,Li, Guijie,She, Yuanbin. "Metal-Free Aerobic Oxidation of Nitro-Substituted Alkylarenes to Carboxylic Acids or Benzyl Alcohols Promoted by NaOH". . p. 8092 - 8103. Retrieved 2018/06/25.
• 2、 -. "HYDANTOIN DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISORDERS". Page column 87-88. . Retrieved 2008/06/13.