ChemicalBook--->CAS DataBase List--->800401-67-6

800401-67-6

800401-67-6 Structure

800401-67-6 Structure
IdentificationBack Directory
[Name]

ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
[CAS]

800401-67-6
[Synonyms]

3-c]pyridine-2-carboxylate
ethyl 5-chloro-1H-pyrrolo[2
5-Chloro-6-azaindole-2-carboxylic acid ethyl ester
ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
5-chloro-1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid ethyl ester
1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 5-chloro-, ethyl ester
[Molecular Formula]

C10H9ClN2O2
[MDL Number]

MFCD09878687
[MOL File]

800401-67-6.mol
[Molecular Weight]

224.64
Chemical PropertiesBack Directory
[Boiling point ]

406.0±40.0 °C(Predicted)
[density ]

1.391±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

11.76±0.40(Predicted)
[Appearance]

Light yellow to light brown Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H302-H315-H335
[Precautionary statements ]

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

IRRITANT
Questions And AnswerBack Directory
[Application]

Ethyl 5-chloro-6-azaindole-2-carboxylate is an organic synthesis intermediate and a pharmaceutical intermediate that can be used in laboratory research and development processes as well as in chemical and pharmaceutical research and development.
Spectrum DetailBack Directory
[Spectrum Detail]

ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate(800401-67-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

ETHYL 3-(2-CHLORO-5-NITROPYRIDIN-4-YL)-2-OXOPROPANOATE

800401-66-5

ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

800401-67-6

Step 2: Synthesis of ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate 10-b To a solution of 3-(2-chloro-5-nitropyridin-4-yl)-2-oxopropanoic acid ethyl ester 10-a (2.726 g, 10 mmol) in THF (80 mL) and EtOH (30 mL) was added a saturated ammonium chloride solution (50 mL). Subsequently, iron powder (2.747 g, 4.9 eq.) was added in batches at room temperature under vigorous stirring, and then the mixture was heated to reflux for 2 hours. Upon completion of the reaction, the mixture was cooled to room temperature, filtered through diatomaceous earth and washed with warm THF/ethanol (1:1, v/v). The filtrate was evaporated and the residue was dissolved in 100 mL of water with stirring and refluxing. The resulting precipitate was thermally filtered, washed twice with warm water and then dried under vacuum to give ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate 10-b (1.9 g, 84% yield). m/z = 225 (M + H)+; 1H NMR (400 MHz, DMSO-d6) δ ppm: 1.36 (t, J = 6.8 Hz, 3H), 4.39 (q, J = 6.7 Hz, 2H), 7.15 (s, 1H), 7.76 (s, 1H), 8.64 (s, 1H), 12.59 (br s, 1H).

[References]

[1] Patent: WO2012/80450, 2012, A1. Location in patent: Page/Page column 24
[2] Molecules, 2014, vol. 19, # 9, p. 13342 - 13357
[3] Patent: WO2006/59164, 2006, A2. Location in patent: Page/Page column 20
[4] Patent: WO2006/67532, 2006, A1. Location in patent: Page/Page column 19
[5] Patent: US2008/125459, 2008, A1. Location in patent: Page/Page column 9
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