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518990-23-3

518990-23-3 Structure

518990-23-3 Structure
IdentificationBack Directory
[Name]

5-tert-butyl 3-ethyl 1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate
[CAS]

518990-23-3
[Synonyms]

5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid, 1,4,6,7-
5-tert-Butyl 3-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)
5-tert-butyl 3-ethyl 1H,4H,5H,6H,7H-pyrazolo[4,3- c]pyridine-3,5-dicarboxylate
5-tert-Butyl 3-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate
O5-tert-butyl O3-ethyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylate
5-O-tert-butyl 3-O-ethyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylate
5-tert-butyl 3-ethyl 1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate
1,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid 5-tert-butyl ester 3-ethyl ester
5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid, 1,4,6,7-tetrahydro-, 5-(1,1-dimethylethyl) 3-ethyl ester
[Molecular Formula]

C14H21N3O4
[MDL Number]

MFCD12028385
[MOL File]

518990-23-3.mol
[Molecular Weight]

295.33
Chemical PropertiesBack Directory
[Boiling point ]

484.5±45.0 °C(Predicted)
[density ]

1.228±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[form ]

powder
[pka]

11.85±0.20(Predicted)
[color ]

Off-white/very faint brown
[InChI]

InChI=1S/C14H21N3O4/c1-5-20-12(18)11-9-8-17(7-6-10(9)15-16-11)13(19)21-14(2,3)4/h5-8H2,1-4H3,(H,15,16)
[InChIKey]

XLEGNBXLLFAJCK-UHFFFAOYSA-N
[SMILES]

C1N(C(OC(C)(C)C)=O)CCC2NN=C(C(OCC)=O)C1=2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[RIDADR ]

UN2811
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Uses]

5-Tert-Butyl 3-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate is used as a reactant in the preparation of benzimidazoles, analogs and their use as protein kinase inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

5-tert-butyl 3-ethyl 1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate(518990-23-3)1HNMR
5-tert-butyl 3-ethyl 1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate(518990-23-3)FT-IR
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