ChemicalBook--->CAS DataBase List--->53590-59-3

53590-59-3

53590-59-3 Structure

53590-59-3 Structure
IdentificationBack Directory
[Name]

6-CHLORO-1H-INDOLE-2-CARBALDEHYDE
[CAS]

53590-59-3
[Synonyms]

6-CHLORO-1H-INDOLE-2-CARBALDEHYDE
1H-Indole-2-carboxaldehyde, 6-chloro-
[Molecular Formula]

C9H6ClNO
[MDL Number]

MFCD11040767
[MOL File]

53590-59-3.mol
[Molecular Weight]

179.6
Chemical PropertiesBack Directory
[Boiling point ]

373.4±22.0 °C(Predicted)
[density ]

1.431±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

14.15±0.30(Predicted)
[Appearance]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Chemical Properties]

Brown solid
[Synthesis]

(6-CHLORO-1H-INDOL-2-YL)-METHANOL

53590-58-2

6-CHLORO-1H-INDOLE-2-CARBALDEHYDE

53590-59-3

GENERAL STEPS: A suspension of 2-hydroxymethyl-6-chloroindole (1 mmol) with activated MnO2 (10 mmol) in DMF (30 mL) was stirred at room temperature for 12 hours. After completion of the reaction, the mixture was filtered through a diatomaceous earth pad. The filtrate was concentrated under vacuum and the residue was purified by column chromatography to afford 6-chloro-1H-indole-2-carbaldehyde using EtOAc-hexane mixed solvent as eluent.

[References]

[1] European Journal of Medicinal Chemistry, 2016, vol. 121, p. 561 - 577
[2] Patent: US2003/144282, 2003, A1
[3] Journal of Medicinal Chemistry, 2007, vol. 50, # 6, p. 1380 - 1400
[4] Patent: US2008/9485, 2008, A1. Location in patent: Page/Page column 31
[5] Journal of Medicinal Chemistry, 2014, vol. 57, # 2, p. 364 - 377
Spectrum DetailBack Directory
[Spectrum Detail]

6-CHLORO-1H-INDOLE-2-CARBALDEHYDE(53590-59-3)1HNMR
6-CHLORO-1H-INDOLE-2-CARBALDEHYDE(53590-59-3)1HNMR
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