ChemicalBook--->CAS DataBase List--->1239319-91-5

1239319-91-5

1239319-91-5 Structure

1239319-91-5 Structure
IdentificationBack Directory
[Name]

N-BOC-6-azaspiro[3.4]octan-2-ol
[CAS]

1239319-91-5
[Synonyms]

N-BOC-6-azaspiro[3.4]octan-2-ol
6-Boc-6-azaspiro[3.4]octan-2-ol
N-Boc-2-hydroxy-6-aza-spiro[3.4]octane
6-Boc-2-hydroxy-6-aza-spiro[3.4]octane
tert-Butyl 2-Hydroxy-6-azaspiro[3.4]octane-6-carboxylate
tert-butyl 2-(tosyloxy)-6-azaspiro[3.4]octane-6-carboxylate
2-Hydroxy-6-azaspiro[3.4]octane-6-carboxylic acid 1,1-dimethylethyl ester
6-Azaspiro[3.4]octane-6-carboxylic acid, 2-hydroxy-, 1,1-dimethylethyl ester
6-Azaspiro[3.4]octane-6-carboxylic acid, 2-hydroxy-, 1,1-dimethylethyl ester - A7189
[Molecular Formula]

C12H21NO3
[MDL Number]

MFCD18073249
[MOL File]

1239319-91-5.mol
[Molecular Weight]

227.3
Chemical PropertiesBack Directory
[Boiling point ]

338℃
[density ]

1.14
[Fp ]

156℃
[storage temp. ]

Sealed in dry,2-8°C
[pka]

14.97±0.20(Predicted)
[Appearance]

White to light yellow Solid-liquid mixture
[InChI]

InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-5-4-12(8-13)6-9(14)7-12/h9,14H,4-8H2,1-3H3
[InChIKey]

KAVBYCOMZDNOFX-UHFFFAOYSA-N
[SMILES]

C1C2(CCN(C(OC(C)(C)C)=O)C2)CC1O
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 ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

N-BOC-6-azaspiro[3.4]octan-2-ol(1239319-91-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

6-Boc-2-oxo-6-aza-spiro[3.4]octane

203661-71-6

N-BOC-6-azaspiro[3.4]octan-2-ol

1239319-91-5

The general procedure for the synthesis of tert-butyl 2-hydroxy-6-azaspiro[3.4]octane-6-carboxylate using 6-Boc-2-oxo-6-azaspiro[3.4]octane as starting material was as follows: to a solution of 6-Boc-2-oxo-6-azaspiro[3.4]octane (19 g, 84.3 mmol) in tetrahydrofuran (THF, 200 mL) at 0 °C, slowly sodium borohydride (NaBH4, 12.8 g, 337.2 mmol) was added. After addition, the reaction mixture was gradually warmed up to ambient temperature and stirred continuously for 6 hours. Upon completion of the reaction, the reaction was quenched with methanol (MeOH) and water (H2O), followed by extraction with ethyl acetate (EtOAc). The organic layers were combined, washed with saturated saline (brine), dried over anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure. The crude product was purified by fast column chromatography (silica gel (SiO2) as stationary phase and petroleum ether solution of petroleum ether (Hep) to 50% ethyl acetate (EtOAc) as eluent) to afford the target product tert-butyl 2-hydroxy-6-azaspiro[3.4]octane-6-carboxylate (R-6, 12 g, 63% yield).

[References]

[1] Patent: US2014/45813, 2014, A1. Location in patent: Paragraph 0114
[2] Patent: US2014/275014, 2014, A1. Location in patent: Paragraph 0128; 0129; 0133
[3] Patent: WO2015/116485, 2015, A1. Location in patent: Page/Page column 24; 25
[4] Patent: US2011/319381, 2011, A1. Location in patent: Page/Page column 10
[5] Patent: US2012/129830, 2012, A1. Location in patent: Page/Page column 10
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