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HomeProduct name listtert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate

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

  • CAS NO.:1181816-12-5
  • Empirical Formula: C11H17NO3
  • Molecular Weight: 211.26
  • MDL number: MFCD15071430
  • EINECS: 1806241-263-5
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-07-11 17:04:31
tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate Structural

What is tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate?

The Uses of tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate

tert-Butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate is a reagent used for the preparation of γ-butyrolactone derivative via Baeyer-Villiger monooxygenase (BVMO)-catalyzed oxidation.

Synthesis

A solution of crude tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate (1.00 g,4.69mmol, 1.00 equiv) in dichloromethane(20 mL) was treated with Dess-Martin periodinane(2.10g,4.95 mmol, 1.06 equiv) in two batches a few min apart at 0 °C. After 10 min, the ice bath wasremoved, and the reaction was monitored by TLC (50% ethyl acetate, PMA stain). After 30 min.the reaction was diluted with ethyl acetate and washed twice with satd sodium bicarbonate. Theorganic layer was dried over sodium sulfate, filtered, and concentrated. The crude product waspurified by flash chromatography (80g silica gel, 10 to 50% ethyl acetate/heptane; pure fractionswere identified by TLC with PMA stain; an unidentified impurity elutes slightly earlier than theproduct) to give tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate as a white solid (721 mg,73%). mp 114.5-116C. 

Properties of tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate

Melting point: 114.5-116 °C
Boiling point: 314.7±42.0 °C(Predicted)
Density  1.16±0.1 g/cm3(Predicted)
storage temp.  2-8°C
pka -0.93±0.20(Predicted)
form  solid
color  Pale yellow
InChI InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11/h4-7H2,1-3H3
CAS DataBase Reference 1181816-12-5

Safety information for tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

Computed Descriptors for tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate

InChIKey HQHRAGXKFOTSQE-UHFFFAOYSA-N
SMILES C1C2(CC(=O)C2)CN1C(OC(C)(C)C)=O

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