5-Methoxy-2-nitrobenzoic acid

Base Information

• Chemical Name: 5-Methoxy-2-nitrobenzoic acid
• CAS No.: 1882-69-5
• Molecular Formula: C8H7NO5
• Molecular Weight: 197.147
• Hs Code.: 29182900
• European Community (EC) Number: 606-135-7
• NSC Number: 364656
• DSSTox Substance ID: DTXSID90320805
• Nikkaji Number: J1.790.249K,J999.465C
• Wikidata: Q69757965
• Mol file: 1882-69-5.mol

Synonyms:5-Methoxy-2-nitrobenzoic acid;1882-69-5;2-Nitro-5-methoxybenzoic acid;5-methoxy-2-nitro-benzoic acid;Benzoic acid, 5-methoxy-2-nitro-;MFCD00151836;5-methoxy-nitrobenzoic acid;6-Nitro-m-anisic Acid;5-Methoxy-2-nitrobenzoicAcid;NSC364656;2-Nitro-5-methoxybenzoate;2-Nitro-5-methoxybenzoicacid;SCHEMBL269614;2-nitro-5-methoxy benzoic acid;5-methoxy-2-nitro benzoic acid;DTXSID90320805;5-(methyloxy)-2-nitrobenzoic acid;BCP28909;STR05879;5-Methoxy-2-nitrobenzoic acid, 97%;AKOS000147444;AC-1099;CS-W002435;NSC 364656;NSC-364656;SY002263;A8146;AM20060092;FT-0620559;M2245;EN300-51143;A20392;2-nitro-5-methoxybenzoic acid;6-Nitro-m-anisicacid;J-012127;J-517682;Z90146674;F0001-0675

Chemical Property of 5-Methoxy-2-nitrobenzoic acid

Chemical Property:

• Appearance/Colour: beige to grey or brown granules
• Vapor Pressure: 4.17E-07mmHg at 25°C
• Melting Point: 125-130 °C(lit.)
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 399.7 °C at 760 mmHg
• PKA: 2.06±0.25(Predicted)
• Flash Point: 195.5 °C
• PSA: 92.35000
• Density: 1.43 g/cm³
• LogP: 1.82480
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.5
• 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:

99.9% ^*data from raw suppliers

5-Methoxy-nitrobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
• Uses: 5-Methoxy-2-nitrobenzoic acid is used in the synthesis of Cathepsin S inhibitors with antitumor applications. In addition, 2-aminocombretastatin derivatives with potential as antimitotic agents are synt hesized using this compound. 5-Methoxy-nitrobenzoic Acid is used in the synthesis of Cathepsin S inhibitors with antitumor applications. In addition, 2-aminocombretastatin derivatives with potential as antimitotic agents are synthesized using this compound. 5-Methoxy-2-nitrobenzoic acid may be used as starting material in the synthesis of the following:dictyoquinazol A, a neuroprotective compound5-methoxyantranilic acid by catalytic reductionpyrrolobenzodiazepines

Technology Process of 5-Methoxy-2-nitrobenzoic acid

There total 11 articles about 5-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: 34.0%

5-methoxy-2-nitrotoluene (5367-32-8) → 5-methoxy-2-nitro-benzoic acid (1882-69-5)

Guidance literature:

With pyridine; potassium permanganate; In water; for 6h; Heating;

DOI:10.1080/00397919408011504

Reference yield:

methanol (67-56-1) + 5-chloro-2-nitrobenzoic acid (2516-95-2) → 5-methoxy-2-nitro-benzoic acid (1882-69-5)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 12h; Cooling with ice; Reflux;

Reference yield:

sodium chlorite (7758-19-2) + 5-methoxy-2-nitrobezaldehyde + aminosulfonic acid (5329-14-6) + 2-fluoro-5-methoxybenzaldehyde (105728-90-3) → 5-methoxy-2-nitro-benzoic acid (1882-69-5) + 2-fluoro-5-methoxybenzoic acid (367-83-9)

Guidance literature:

In water; acetone;

upstream raw materials:

5-methoxy-2-nitro-benzaldehyde

5-methoxy-2-nitrotoluene

water

3-methyl-4-nitrophenol

Downstream raw materials:

methyl 2-nitro-5-(methoxy)benzoate

C₁₆H₁₆N₂O₅

C₁₇H₂₀N₂O₃

C₁₇H₁₈N₂O₄

Refernces

• 1、 -. "1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE)". Page/Page column 79. . Retrieved 2010/11/27.
• 2、 -. "3-(3-aryloxyphenyl)-1-(substituted methyl)-s-triazine-2,4,6-oxo or thiotrione herbicidal agents". . . Retrieved 2008/06/13.