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230301-11-8

230301-11-8 Structure

230301-11-8 Structure
IdentificationBack Directory
[Name]

tert-butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
[CAS]

230301-11-8
[Synonyms]

tert-butyl 6
7-dihydro-1H-pyrazolo[4
3-c]pyridine-5(4H)-carboxylate
5-Boc-4,5,6,7-Tetrahydropyrazolo[4,3-c]pyridine
t-Butyl 1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
5-t-Butoxycarbonyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine
tert-butyl 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
tert-butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
tert-butyl 1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate
TERT-BUTYL 6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE(WX619173)
1,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
1,4,6,7-Tetrahydro-1H-pyrazolo[4,3-C]pyridine-5-carboxylic acid tert-butyl ester
5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 1,4,6,7-tetrahydro-, 1,1-dimethylethyl ester
[EINECS(EC#)]

810-603-8
[Molecular Formula]

C11H17N3O2
[MDL Number]

MFCD08059268
[MOL File]

230301-11-8.mol
[Molecular Weight]

223.27
Chemical PropertiesBack Directory
[Boiling point ]

388.0±42.0 °C(Predicted)
[density ]

1.200±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

14.81±0.20(Predicted)
[Appearance]

Off-white to yellow Solid
[InChI]

InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-8(7-14)6-12-13-9/h6H,4-5,7H2,1-3H3,(H,12,13)
[InChIKey]

BHYPERDTLBCHAE-UHFFFAOYSA-N
[SMILES]

C1N(C(OC(C)(C)C)=O)CCC2NN=CC1=2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

tert-butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate(230301-11-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

tert-butyl (3Z)-3-[(dimethylamino)methylidene]-4-oxopiperidine-1-carboxylate

1310796-19-0

tert-butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate

230301-11-8

General procedure for the synthesis of tert-butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate from the compound (CAS: 1310796-19-0): to tert-butyl (Z)-3-((dimethylamino)methylene)-4-oxo-piperidine-1-carboxylate (8.8 g, 34.6 mmol) in ethanol (EtOH, 50 mL) hydrazine hydrate (N2H4-H2O, 200 mL) was slowly added to the solution at 0°C. The reaction mixture was stirred at 20°C for 12 hours. Upon completion of the reaction, the mixture was concentrated under reduced pressure to remove the solvent. The resulting residue was isolated and purified by column chromatography to afford the target product tert-butyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate (7 g, 95% yield). The product was analyzed by LCMS and showed m/z: 224.2 [M + H]+.

[References]

[1] Patent: WO2015/200677, 2015, A2. Location in patent: Paragraph 00806; 00807
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