| Identification | Back Directory | [Name]
4-(METHYLAMINO)-3-NITROBENZOIC ACID | [CAS]
41263-74-5 | [Synonyms]
NSC 138300
Dabigatran Etexilate Impurity 91
4-(METHYLAMINO)-3-NITROBENZOIC ACID
Dabigatran Etexilate Intermediate 5
4-N-Methylamino-3-nitro benzoic acid
4-(Methylamino)-3-nitrobenzoicAcid>
Benzoic acid, 4-(MethylaMino)-3-nitro-
4-(MethylaMino)-3-nitrobenzoic acid 98%
4-(METHYLAMINO)-3-NITROBENZOIC ACID ISO 9001：2015 REACH | [EINECS(EC#)]
609-904-5 | [Molecular Formula]
C8H8N2O4 | [MDL Number]
MFCD00464322 | [MOL File]
41263-74-5.mol | [Molecular Weight]
196.16 |
| Chemical Properties | Back Directory | [Melting point ]
>300°C | [Boiling point ]
393.7±37.0 °C(Predicted) | [density ]
1.472±0.06 g/cm3(Predicted) | [storage temp. ]
Refrigerator, Under Inert Atmosphere | [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 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow Solid | [Uses]
4-(Methylamino)-3-nitrobenzoic Acid (cas# 41263-74-5) is a compound useful in organic synthesis. | [Synthesis]
(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 |
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