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885270-84-8

885270-84-8 Structure

885270-84-8 Structure
IdentificationBack Directory
[Name]

Tert-butyl 2,6-diazaspiro[3.4]octane-2-carboxylate
[CAS]

885270-84-8
[Synonyms]

tert-Butyl 2,6-diazaspiro...
2-Boc-2,6-diaza-spiro[3.4]octane
2,6-Diazaspiro[3.4]octane, N2-BOC protected
tert-Butyl 2,7-diazaspiro[3.4]octane-2-carboxylate
2,6-Diaza-spiro[3.4]octane-2-carboxylic acid tert-butyl
1,1-Dimethylethyl 2,6-diazaspiro[3.4]octane-2-carboxylate
2,6-Diazaspiro[3.4]octan-2-carboxylic acid tert-butyl ester
Tert-butyl 2,6-diazaspiro[3.4]octane-2-carboxylate.hemioxalate
2,6-Diazaspiro[3.4]octane-2-carboxylicacid, 1,1-dimethylethy...
2,6-Diazaspiro[3.4]octane-2-carboxylic acid, 1,1-diMethylethyl ester
Tert-butyl 2,6-diazaspiro[3.4]octanTert-butyl 2,6-diazaspiro[3.4]octane-2-carboxylatee-2-carboxylate
[Molecular Formula]

C11H20N2O2
[MDL Number]

MFCD08234737
[MOL File]

885270-84-8.mol
[Molecular Weight]

212.29
Chemical PropertiesBack Directory
[Boiling point ]

301.3±35.0 °C(Predicted)
[density ]

1.10±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

solid
[pka]

10.65±0.20(Predicted)
[color ]

Off-white
[InChI]

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-11(8-13)4-5-12-6-11/h12H,4-8H2,1-3H3
[InChIKey]

UJIOQJJFPYXAEM-UHFFFAOYSA-N
[SMILES]

C1C2(CCNC2)CN1C(OC(C)(C)C)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HazardClass ]

IRRITANT
[HS Code ]

29339900
Hazard InformationBack Directory
[Uses]

tert-Butyl 2,6-diazaspiro[3.4]octane-2-carboxylate can be used to synthesize ketohexokinase (KHK) inhibitors that have potential medical uses for treating diabetes and obesity.??tert-Butyl 2,6-diazaspiro[3.4]octane-2-carboxylate is also a useful reagent for the synthesis of dihydroisoindolecarboxamide derivatives as??Nicotinamide Phosphoribosyltransferase (NAMPT) and??Rho-associated protein kinase (ROCK)??inhibitors.
[Pharmaceutical Applications]

2,6-diazaspiro[3.4]octane is the main structure of Tert-butyl 2,6-diazaspiro[3.4]octane-2-carboxylate. The fully saturated, high-Fsp3 2,6-diazaspiro[3.4]octane core is an emerging privileged structure, taking into account its recent frequent appearance in compounds possessing diverse biological activities. Notable recently reported examples include a hepatitis B capsid protein inhibitor, a menin-MLL1 interaction inhibitor for the treatment of cancer, a MAP and PI3K signaling modulator, a selective dopamine D3 receptor antagonist, and VDAC1 inhibitors for the treatment of diabetes[1].
[References]

[1] Lukin, A.; Komarova, K.; Vinogradova, L.; Dogonadze, M.; Vinogradova, T.; Yablonsky, P.; Kazantsev, A.; Krasavin, M. Periphery Exploration around 2,6-Diazaspiro[3.4]octane Core Identifies a Potent Nitrofuran Antitubercular Lead. Molecules 2023, 28, 2529. DOI:10.3390/molecules28062529
Spectrum DetailBack Directory
[Spectrum Detail]

Tert-butyl 2,6-diazaspiro[3.4]octane-2-carboxylate(885270-84-8)1HNMR
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