4-(METHYLAMINO)-3-NITROBENZOIC ACID CAS 41263-74-5

Introduction：Basic information about 4-(METHYLAMINO)-3-NITROBENZOIC ACID CAS 41263-74-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

4-(METHYLAMINO)-3-NITROBENZOIC ACID Basic information

• Product Name: 4-(METHYLAMINO)-3-NITROBENZOIC ACID
• Synonyms: 4-(METHYLAMINO)-3-NITROBENZOIC ACID;NSC 138300;4-(MethylaMino)-3-nitrobenzoic acid 98%;Benzoic acid, 4-(MethylaMino)-3-nitro-;Dabigatran Etexilate Intermediate 5;4-N-Methylamino-3-nitro benzoic acid;4-(Methylamino)-3-nitrobenzoicAcid>4-(METHYLAMINO)-3-NITROBENZOIC ACID ISO 9001：2015 REACH
• CAS: 41263-74-5
• MF: C8H8N2O4
• MW: 196.16
• EINECS: 609-904-5
• Product Categories: Amines;Aromatics;Building Blocks/Intermediates;Intermediate of Dabigatran
• Mol File: 41263-74-5.mol

4-(METHYLAMINO)-3-NITROBENZOIC ACID Chemical Properties

• Melting point: >300°C
• Boiling point: 393.7±37.0 °C(Predicted)
• density: 1.472±0.06 g/cm3(Predicted)
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• solubility: DMSO, Methanol
• form: Solid
• pka: 4.28±0.10(Predicted)
• color: Yellow
• InChI: InChI=1S/C8H8N2O4/c1-9-6-3-2-5(8(11)12)4-7(6)10(13)14/h2-4,9H,1H3,(H,11,12)
• InChIKey: KSMLIIWEQBYUKA-UHFFFAOYSA-N
• SMILES: C(O)(=O)C1=CC=C(NC)C([N+]([O-])=O)=C1
• LogP: 1.54 at 22℃ and pH6
• CAS DataBase Reference: 41263-74-5

Safety Information

• HazardClass: IRRITANT
• HS Code: 2916399090

4-(METHYLAMINO)-3-NITROBENZOIC ACID Usage And Synthesis

Chemical Properties

Yellow Solid

Uses

4-(Methylamino)-3-nitrobenzoic Acid (cas# 41263-74-5) is a compound useful in organic synthesis.

Synthesis

528-45-0

74-89-5

41263-74-5

(a) 3,4-Dinitrobenzoic acid (10 g, 47.2 mmol) was dissolved in ethanol (50 mL) and triethylamine (TEA, 13 mL) and methylamine (2M solution in methanol, 35 mL, 70 mmol) were added. The reaction mixture was stirred at room temperature for 24 hours. After completion of the reaction, the mixture was concentrated and water was added to the residue. The mixture was filtered and the filtrate was acidified with acetic acid (AcOH). The precipitated solid was collected and dried to give 4-methylamino-3-nitrobenzoic acid. Yield: 7.5 g (81%).

References

[1] Patent: WO2010/100249, 2010, A1. Location in patent: Page/Page column 81-82

4-(METHYLAMINO)-3-NITROBENZOIC ACID Preparation Products And Raw materials

• Raw materials: 2-(methylamino)-5-(methoxycarbonyl)-3-nitrobenzene-->4-Fluoro-3-nitrobenzoic acid-->3-Fluoro-4-nitrobenzoic acid-->3,4-Dinitrobenzoic acid-->Methylamine-->4-Chloro-3-nitrobenzoic acid-->Acetic acid-->Ethanol-->Water-->Triethylamine
• Preparation Products: 4-(Methylamino)-3-nitrobenzamide