954236-44-3

Basic information

• Product Name: 3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
• Synonyms: 3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester;N-Boc-3-oxo-1-oxa-8-aza-spiro[4.5]decane;tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;1-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 3-oxo-, 1,1-diMethylethyl ester;3-(tert-butoxycarbonyl)-3-aza-7-oxa-spiro[5.4]decan-9-one;8-Boc-3-oxo-1-oxa-8-azaspiro[4.5]decane;3 tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;EOS-62192
• CAS NO: 954236-44-3
• Molecular Formula: C₁₃H₂₁NO₄
• Molecular Weight: 255.31014
• Product Categories: Heterocycles series
• Mol File: 954236-44-3.mol
• Article Data: 0

Chemical Properties

• Melting Point: 65-66 °C(Solv: hexane (110-54-3))
• Boiling Point: 375.5°C at 760 mmHg
• Flash Point: 180.9°C
• Appearance: /
• Density: 1.16
• Vapor Pressure: 7.77E-06mmHg at 25°C
• Refractive Index: 1.51
• Storage Temp.: 2-8°C
• PKA: -0.85±0.20(Predicted)
• CAS DataBase Reference: 3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester(954236-44-3)
• EPA Substance Registry System: 3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester(954236-44-3)

Safety Data

• Hazardous Substances Data: 954236-44-3(Hazardous Substances Data)

Usage

Description

3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester is a complex organic compound featuring a spirocycle structure with an oxa and aza bridge, and a tert-butyl ester group. It is characterized by its unique molecular arrangement and functional groups, which contribute to its reactivity and potential applications in various chemical processes.

Uses

Used in Organic Synthesis:
3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester is used as a reactant in organic synthesis for its ability to participate in a variety of chemical reactions. Its unique structure allows it to be a versatile building block for the creation of more complex organic molecules, which can be utilized in pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester is used as an intermediate in the synthesis of drug candidates. Its reactivity and structural features make it a valuable component in the development of new medications, potentially leading to the discovery of novel therapeutic agents with improved efficacy and safety profiles.
Used in Agrochemical Industry:
3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester is also used in the agrochemical industry as a precursor for the synthesis of active ingredients in pesticides and other crop protection products. Its involvement in the creation of these compounds can contribute to the development of more effective and environmentally friendly solutions for agricultural applications.
Overall, the diverse applications of 3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester highlight its importance as a versatile reactant in the fields of organic synthesis, pharmaceuticals, and agrochemicals, where it plays a crucial role in the development of innovative and improved products.

InChI:InChI=1/C13H21NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(15)9-17-13/h4-9H2,1-3H3

Downstream Products

• 1160246-91-2 tert-butyl (3R)-3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate