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39713-40-1

39713-40-1 Structure

39713-40-1 Structure
IdentificationBack Directory
[Name]

7,8-dihydro-5H-cyclohepta[b]pyridine-5,9(6H)-dione
[CAS]

39713-40-1
[Synonyms]

EOS-60494
7,8-dihydro-6H-cyclohepta[b]pyridine-5,9-dione
7,8-dihydro-5H-cyclohepta[b]pyridine-5,9(6H)-dione
5H-Cyclohepta[b]pyridine-7,8-dihydro-5,9(6H)-dione
5H-Cyclohepta[b]pyridine-5,9(6H)-dione, 7,8-dihydro-
7,8-Dihydro-5H-cyclohepta[b]pyridine-5,9(6H)-dione(For export only)
[Molecular Formula]

C10H9NO2
[MDL Number]

MFCD16293377
[MOL File]

39713-40-1.mol
[Molecular Weight]

175.184
Chemical PropertiesBack Directory
[Boiling point ]

364.6±21.0 °C(Predicted)
[density ]

1.249
[storage temp. ]

Store at room temperature
[pka]

0.40±0.20(Predicted)
[Appearance]

Brown to reddish brown Solid
[InChI]

InChI=1S/C10H9NO2/c12-8-4-1-5-9(13)10-7(8)3-2-6-11-10/h2-3,6H,1,4-5H2
[InChIKey]

INMIEUQKQXVBKR-UHFFFAOYSA-N
[SMILES]

C12C(=O)CCCC(=O)C1=CC=CN=2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H302-H335
[Precautionary statements ]

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

7,8-dihydro-5H-cyclohepta[b]pyridine-5,9(6H)-dione is an organic intermediate, which can be prepared from dimethyl 2,3-pyridine dicarboxylate and dimethyl glutarate by two-step reaction.
[Synthesis]

To a solution of dimethyl 2,3-pyridinedicarboxylate (750 g, 3.84 mol) and dimethyl glutarate (935 g, 5.84 mol) in toluene (5.25 L) was added potassium tert-butanolate (1.0 M in THF, 9.6 L, 9.6 mol), maintaining an internal temperature of <30°C.

Spectrum DetailBack Directory
[Spectrum Detail]

7,8-dihydro-5H-cyclohepta[b]pyridine-5,9(6H)-dione(39713-40-1)1HNMR
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