ChemicalBook--->CAS DataBase List--->336191-17-4

336191-17-4

336191-17-4 Structure

336191-17-4 Structure
IdentificationBack Directory
[Name]

2,8-DIAZA-SPIRO[4.5]DECANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
[CAS]

336191-17-4
[Synonyms]

2-Boc-2,8-diaza-spiro[4.5...
2-Boc-2,8-Diaza-spiro[4.5]decane
2-N-Boc-2,8-diaza-spiro[4.5]decane
2-Boc-2,8-diazaspiro[4.5]decane hemioxalate
2,8-Diazaspiro[4.5]decane, N2-BOC protected
TERT-BUTYL 2,8-DIAZASPIRO[4.5]DECANE-2-CARBOXYLATE
tert-Butyl 3,8-diazaspiro[4.5]decane-3-carboxylate
tert-Butyl2,7-diazaspiro[4,5]decane-2-carboxylate,98%
2,8-Diaza-Spiro[4.5]Decane-2-Carboxylic acid Tert-Butyl Es
2,8-DIAZA-SPIRO[4.5]DECANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
2,8-Diazaspiro[4.5]decane-2-carboxylic acid, 1,1-diMethylethyl ester
2,8-Diazaspiro[4.5]decane-2-carboxylic acid tert-butyl ester - D6099
tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate, 2-(tert-Butoxycarbonyl)-2,8-diazaspiro[4.5]decane
[Molecular Formula]

C13H24N2O2
[MDL Number]

MFCD06739056
[MOL File]

336191-17-4.mol
[Molecular Weight]

240.34
Chemical PropertiesBack Directory
[Boiling point ]

337.0±35.0 °C(Predicted)
[density ]

1.07±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

solid
[pka]

10.97±0.20(Predicted)
[color ]

Off-white to grey
[InChI]

InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-6-13(10-15)4-7-14-8-5-13/h14H,4-10H2,1-3H3
[InChIKey]

NFNCPNAVNRBDOU-UHFFFAOYSA-N
[SMILES]

C1C2(CCNCC2)CCN1C(OC(C)(C)C)=O
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
[Risk Statements ]

20-22-36/37/38
[Safety Statements ]

26-36
[HazardClass ]

IRRITANT
[HS Code ]

29339900
Hazard InformationBack Directory
[Chemical Properties]

Wihte powder
[Uses]

tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate is a heterocyclic derivative and can be used as a pharmaceutical synthesis intermediate.
[Synthesis]

2,8-Diazaspiro[4.5]decane-2,8-dicarboxylic acid, 2-(1,1-dimethylethyl) 8-(phenylmethyl) ester

929301-98-4

tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate

336191-17-4

Preparation of Compound 6: Compound 5 (2,8-diazaspiro[4.5]decane-2,8-dicarboxylic acid, 2-(1,1-dimethylethyl)8-(phenylmethyl) ester, 30 g, 0.08 mol) was dissolved in methanol (100 mL), and hydrogenation reaction was carried out by adding 20% Pd(OH)2/C catalyst (5 g) at room temperature and under hydrogen pressure of 76 cmHg. until the reaction was complete. After completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated. The resulting residue was purified by column chromatography to afford the target product compound 6 (tert-butyl 2,8-diazaspiro[4.5]deca-2-carboxylate, 11 g, 57% yield).1H NMR (DMSO, HCl salt) δ: 8.88 (broad peak, 2H), 3.28-3.23 (multiple peaks, 2H), 3.10 (double peaks, 2H), 2.99 (triple peaks, 2H) , 1.68-1.61 (multiple peaks, 2H), 1.63-1.59 (multiple peaks, 4H), 1.36 (single peak, 9H).

[References]

[1] Patent: WO2007/30061, 2007, A1. Location in patent: Page/Page column 88; 89
Spectrum DetailBack Directory
[Spectrum Detail]

2,8-DIAZA-SPIRO[4.5]DECANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER(336191-17-4)1HNMR
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