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1190363-44-0

1190363-44-0 Structure

1190363-44-0 Structure
IdentificationBack Directory
[Name]

(9R)-9-hydroxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
[CAS]

1190363-44-0
[Synonyms]

(9R)-9-hydroxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
5H-Cyclohepta[b]pyridin-5-one, 6,7,8,9-tetrahydro-9-hydroxy-, (9R)-
[Molecular Formula]

C10H11NO2
[MDL Number]

MFCD23161416
[MOL File]

1190363-44-0.mol
[Molecular Weight]

177.2
Chemical PropertiesBack Directory
[Boiling point ]

358.8±30.0 °C(Predicted)
[density ]

1.259±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[pka]

12.84±0.20(Predicted)
[Appearance]

Light yellow to yellow Solid
[InChI]

InChI=1S/C10H11NO2/c12-8-4-1-5-9(13)10-7(8)3-2-6-11-10/h2-3,6,9,13H,1,4-5H2/t9-/m1/s1
[InChIKey]

ZZNXHQSAOHUNDA-SECBINFHSA-N
[SMILES]

C12[C@H](O)CCCC(=O)C1=CC=CN=2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Uses]

(9R)-6,7,8,9-Tetrahydro-9-hydroxy-5H-cyclohepta[b]pyridin-5-one is used in the synthetic preparation of CGRP antagonist BMS-846372 via chemoselective and enantioselective reduction of cyclohepta[b]pyridine-5,9-dione.
Spectrum DetailBack Directory
[Spectrum Detail]

(9R)-9-hydroxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one(1190363-44-0)1HNMR
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