ChemicalBook--->CAS DataBase List--->36052-27-4

36052-27-4

36052-27-4 Structure

36052-27-4 Structure
IdentificationBack Directory
[Name]

3-Aminopyridine-2-carboxylic acid methyl ester
[CAS]

36052-27-4
[Synonyms]

Methyl 3-aminopicolinate
methyl 3-aminopyridine-2-carboxylate
Methyl 3-amino-2-pyridine carboxylate
3-Aminopyridine-2-carboxylic acid methyl ester
2-Pyridinecarboxylic acid, 3-aMino-, Methyl ester
2-Pyridinecarboxylicacid,3-amino-,methylester(9CI)
3-AMINOPYRIDINE-2-CARBOXYLIC ACID METHYL ESTER(RS20012789)
3-Aminopyridine-2-carboxylic acid methyl ester ISO 9001:2015 REACH
[Molecular Formula]

C7H8N2O2
[MDL Number]

MFCD08695602
[MOL File]

36052-27-4.mol
[Molecular Weight]

152.15
Chemical PropertiesBack Directory
[Boiling point ]

317.3±22.0 °C(Predicted)
[density ]

1.238±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[pka]

2.65±0.10(Predicted)
[Appearance]

White to yellow Solid
[InChI]

InChI=1S/C7H8N2O2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,8H2,1H3
[InChIKey]

YQKTYFNLRUWQFV-UHFFFAOYSA-N
[SMILES]

C1(C(OC)=O)=NC=CC=C1N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H335-H302
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
[HS Code ]

2933399990
Hazard InformationBack Directory
[Uses]

3-Aminopyridine-2-carboxylic acid methyl ester can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.
[Synthesis]

Synthesis_36052-27-4
To a solution of 3-aminopyridine-2-carboxylic acid (20 g, 144.9 mmol) in methanol (300 mL) was added conc. sulfuric acid (5.4 mL), and the mixture was heated under reflux for 5 days. The reaction mixture was concentrated under reduced pressure, water was added thereto, and sodium carbonate was added thereto until the complete of foaming. The mixture was extracted with dichloromethane (x3), the organic layer was dried over sodium sulfate, and the solvent was evaporated under reduced pressure to give methyl 3-aminopyridine-2-carboxylate (17.0 g, 77%) as a pale yellow solid. 1H-NMR(300MHz,CDCl3):|?3.95(3H,s),5.72(2H,brs),7.03(1H,dd,J=0.99,8. 35Hz),7.18-7.21(1H,m),8.05(1H,dd,J=0.96,4.04Hz).
[References]

[1] Patent: EP2975031, 2016, A1. Location in patent: Paragraph 1070
[2] Patent: WO2005/49613, 2005, A1. Location in patent: Page/Page column 39
[3] Patent: US2017/190713, 2017, A1. Location in patent: Paragraph 0260
[4] Patent: US2015/51395, 2015, A1. Location in patent: Paragraph 1163-1164
[5] Chemical Communications, 2016, vol. 52, # 59, p. 9283 - 9286
Spectrum DetailBack Directory
[Spectrum Detail]

3-Aminopyridine-2-carboxylic acid methyl ester(36052-27-4)1HNMR
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