ChemicalBook--->CAS DataBase List--->21796-14-5

21796-14-5

21796-14-5 Structure

21796-14-5 Structure
IdentificationBack Directory
[Name]

7,8-DIHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5(6H)-ONE
[CAS]

21796-14-5
[Synonyms]

NSC 201020
AKOS 236-14
Noroxyhydrastinine
3,4-Dihydro-6,7-methylenedioxy-1(2H)-isoquinolinone
7,8-DIHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5(6H)-ONE
1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one, 7,8-dihydro-
1,3-Dioxolo(4,5-g)isoquinolin-5(6H)-one, 7,8-dihydro- (8CI)(9CI)
[Molecular Formula]

C10H9NO3
[MDL Number]

MFCD01411860
[MOL File]

21796-14-5.mol
[Molecular Weight]

191.18
Chemical PropertiesBack Directory
[Melting point ]

189℃
[Boiling point ]

506.6±50.0 °C(Predicted)
[density ]

1.365±0.06 g/cm3 (20 ºC 760 Torr)
[pka]

14.23±0.20(Predicted)
[InChI]

InChI=1S/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12)
[InChIKey]

VSOJKDUWYQCWFM-UHFFFAOYSA-N
[SMILES]

C1(=O)C2C(=CC3OCOC=3C=2)CCN1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard InformationBack Directory
[Description]

This isoquinoline alkaloid from Thalictrum minus var. adiantifolium has been described by Doskotch and his colleagues. Characterization by chemical methods and synthesis have shown the base to be 6:7-methylenedioxy-l-oxo-1 :2:3:4- tetrahydroisoquinoline.
[Uses]

Noroxyhydrastinine (compound 1) is an alkaloid. Noroxyhydrastinine can be isolated from the ethanolic extract of the roots of Thalictrum angustifolium[1].
[References]

Doskotch, Schiff, Beal., Tetrahedron, 25,469 (1969)
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