ChemicalBook--->CAS DataBase List--->86718-01-6

86718-01-6

86718-01-6 Structure

86718-01-6 Structure
IdentificationBack Directory
[Name]

Methyl imidazo[1,2-a]pyridine-7-carboxylate
[CAS]

86718-01-6
[Synonyms]

7-(Methoxycarbonyl)imidazo[1,2-a]pyridine
Methyl imidazo[1,2-a]pyridine-7-carboxylate
methyl H-imidazo[1,2-a]pyridine-7-carboxylate
Methylimidazo[1,2-a]pyridine-7-carboxylate,95%
7-imidazo[1,2-a]pyridinecarboxylic acid methyl ester
IMidazo[1,2-a]pyridine-7-carboxylic acid, Methyl ester
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C9H8N2O2
[MDL Number]

MFCD09910350
[MOL File]

86718-01-6.mol
[Molecular Weight]

176.174
Chemical PropertiesBack Directory
[Melting point ]

133-135℃
[density ]

1.26±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

4.67±0.50(Predicted)
[Appearance]

Off-white to yellow Solid
[InChI]

InChI=1S/C9H8N2O2/c1-13-9(12)7-2-4-11-5-3-10-8(11)6-7/h2-6H,1H3
[InChIKey]

KYHRVKMXYXBEQN-UHFFFAOYSA-N
[SMILES]

C12=NC=CN1C=CC(C(OC)=O)=C2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl imidazo[1,2-a]pyridine-7-carboxylate(86718-01-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methyl 2-aminopyridine-4-carboxylate

6937-03-7

Bromoacetaldehyde diethyl acetal

2032-35-1

Methyl imidazo[1,2-a]pyridine-7-carboxylate

86718-01-6

General procedure for the synthesis of methyl imidazo[1,2-a]pyridine-7-carboxylate from methyl 2-aminoisonicotinate and bromoacetaldehyde diethyl acetal: A mixture of 2-bromo-1,1-diethoxyethane (6.20 mL, 41.2 mmol) and 35% aqueous HCl (0.82 mL, 26.8 mmol) in water (68 mL) was stirred for 2.5 hours. It was then heated at 80 °C and kept at that temperature and stirred for 1.5 hours. After the reaction mixture was cooled to 20 °C, sodium bicarbonate (NaHCO3, 4.49 g, 53.45 mmol) was added in four portions. Finally, methyl 2-aminoisonicotinate (5 g, 32.86 mmol) was added and the reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the solid formed was collected by filtration, washed with water and dried in a vacuum oven to afford 5.15 g of methyl imidazo[1,2-a]pyridine-7-carboxylate as a brown solid in 89% yield.LRMS: m/z 177 (M + 1)+; retention time: 1.46 min (Method A).1H NMR (200 MHz, CDCl3) δ ppm : 3.97 (s, 3H), 7.27 (s, 1H), 7.42 (d, J = 6 Hz, 1H), 7.70 (s, 1H), 7.80 (s, 1H), 8.19 (d, J = 6 Hz, 1H), 8.37 (s, 1H).

[References]

[1] Patent: WO2010/43377, 2010, A1. Location in patent: Page/Page column 53-54
[2] Patent: WO2010/16005, 2010, A1. Location in patent: Page/Page column 118
[3] Chemical and Pharmaceutical Bulletin, 1991, vol. 39, # 6, p. 1556 - 1567
[4] Patent: US4962115, 1990, A
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