| Identification | More | [Name]
Methyl 4-aminopyridine-3-carboxylate | [CAS]
16135-36-7 | [Synonyms]
4-amino-3-pyridinecarboxylic acid methyl ester
4-AMINONICOTINIC ACID METHYL ESTER
4-AMINOPYRIDINE-3-CARBOXYLIC ACID METHYL ESTER
METHYL-4-AMINONICOTINATE
methyl 4-aminopyridine-3-carboxylate
RARECHEM AL BF 1386
4-Amino-nicotinic acid methyl ester ,97% | [Molecular Formula]
C7H8N2O2 | [MDL Number]
MFCD00955996 | [Molecular Weight]
152.15 | [MOL File]
16135-36-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
172-174℃ | [Boiling point ]
288.7±20.0 °C(Predicted) | [density ]
1.238±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
7.04±0.12(Predicted) | [color ]
White to Almost white | [Detection Methods]
HPLC | [InChI]
1S/C7H8N2O2/c1-11-7(10)5-4-9-3-2-6(5)8/h2-4H,1H3,(H2,8,9) | [InChIKey]
OCARFFAPQGYGBP-UHFFFAOYSA-N | [SMILES]
Nc1c(cncc1)C(=O)OC | [CAS DataBase Reference]
16135-36-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Risk Statements ]
36/37/38 | [Safety Statements ]
26-37 | [RIDADR ]
UN2811 | [HS Code ]
29333990 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
Off-white solid | [Synthesis]
General procedure for the synthesis of methyl 4-aminonicotinate from methyl 4-((tert-butoxycarbonyl)amino)nicotinate: 4-((tert-butoxycarbonyl)amino)nicotinate (9.08 g, 36.0 mmol) was dissolved in a 50/50 (v/v) trifluoroacetic acid (TFA)/dichloromethane (DCM) mixture (100 mL), and the reaction was stirred at room temperature for 2 hours. Upon completion of the reaction, the mixture was concentrated under reduced pressure to remove the solvent. Subsequently, the concentrate was redissolved in dichloromethane (100 mL), washed with saturated sodium bicarbonate solution, dried over anhydrous sodium sulfate and concentrated again under reduced pressure. Methyl 4-aminonicotinate (5.43 g, 99.1% yield) was finally obtained, the purity of which met the requirements of the subsequent reaction. The mass spectrum (chemical ionization, CI) showed a molecular ion peak (M/E) of 153.1. | [References]
[1] Patent: WO2003/103575, 2003, A2. Location in patent: Page 74
[2] Patent: WO2005/49604, 2005, A2. Location in patent: Page/Page column 107
[3] Patent: EP1140905, 2003, B1 |
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