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1211526-53-2

1211526-53-2 Structure

1211526-53-2 Structure
IdentificationBack Directory
[Name]

2-Boc-2-aza-spiro[3.3]hep...
[CAS]

1211526-53-2
[Synonyms]

2-Boc-2-aza-spiro[3.3]hep...
N-Boc-2-azaspiro[3.3]heptane-6-carboxylic Acid
2-Boc-2-aza-spiro[3.3]heptane-6-carboxylic acid
2-Boc-2-aza-spiro[3.3]hep... ISO 9001:2015 REACH
6-tert-Butoxycarbonyl-6-azaspiro[3.3]heptane-2-carboxylic acid
2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid 2-tert-butyl ester
2-(tert-Butoxycarbonyl)-2-azaspiro[3.3]heptane-6-carboxylic acid
2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid 2-tert-butyl ester - A6137
2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) ester
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[3.3]heptane-6-carboxylic acid
[Molecular Formula]

C12H19NO4
[MDL Number]

MFCD17016194
[MOL File]

1211526-53-2.mol
[Molecular Weight]

241.284
Chemical PropertiesBack Directory
[Melting point ]

95-97 °C(Solv: ethanol (64-17-5))
[Boiling point ]

377.4±42.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[form ]

solid
[pka]

4.58±0.20(Predicted)
[color ]

White
Questions And AnswerBack Directory
[Uses]

2-BOC-2-azaspiro[3.3]heptane-6-carboxylic acid is an important pharmaceutical intermediate and a key raw material for the synthesis of many drugs and excipients. It is used in the preparation of some protein kinase inhibitors, etc.
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P301+P312-P305+P351+P338
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

2-Boc-2-aza-spiro[3.3]hep...(1211526-53-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

tert-butyl 6-cyano-2-azaspiro[3.3]heptane-2-carboxylate

1374658-94-2

2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) ester

1211526-53-2

General procedure for the synthesis of 2-BOC-2-azaspiro[3.3]heptane-6-carboxylic acid from tert-butyl 6-cyano-2-azaspiro[3.3]heptane-2-carboxylate: 6-cyano-2-azaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester (2.0 g, 9.0 mmol) was dissolved in a mixed solvent of ethanol (40 mL) and water (40 mL), followed by addition of potassium hydroxide (2.0 g, 36.0 mmol). The reaction mixture was stirred at room temperature overnight. The progress of the reaction was monitored by thin layer chromatography (TLC, unfolding agent was petroleum ether/ethyl acetate, v/v=1/1, Rf=0.0) and after confirming the completion of the reaction, most of the ethanol was removed by concentration under reduced pressure. The pH of the remaining solution was adjusted to 3-4 with 1N hydrochloric acid and the aqueous phase was extracted with dichloromethane. The organic phase was dried over anhydrous sodium sulfate and subsequently concentrated to dryness under reduced pressure to afford 2-BOC-2-azaspiro[3.3]heptane-6-carboxylic acid (1.3 g, 62% yield).

[References]

[1] Patent: CN105646318, 2016, A. Location in patent: Paragraph 0009
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