tert-butyl 1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate

Basic Information

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CAS Number

1032158-48-7

Molecular Formula

C12H20N2O3

Molecular Weight

240.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

1.17 ºC

Boiling Point

412 ºC

Flash Point

203 ºC

SMILES

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CC(C)(C)OC(=O)N1CCC2(CNC2=O)CC1

InChI

InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-6-4-12(5-7-14)8-13-9(12)15/h4-8H2,1-3H3,(H,13,15)

InChIKey

LQQAOPZWMYAJSP-UHFFFAOYSA-N

LogP

1.1335

Topological Polar Surface Area

58.64 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Synonyms & References

English

7-Boc-1-oxo-2,7-diazaspiro[3.5]nonane
2,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1-oxo-, 1,1-dimethylethyl ester
3-Thiophenecarboxamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-
tert-butyl 1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate
tert-butyl 3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate
tert-Butyl 1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate - B6610
1-Oxo-2,7-diaza-spiro[3.5]nonane-7-carboxylic acid tert-butyl ester

MDL Number

MFCD12198504

Customs Code

2933990090

FAQ

What are the physical and chemical properties of tert-butyl 1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate (CAS: 1032158-48-7)?

Tert-butyl 1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate (CAS: 1032158-48-7) is a white crystalline solid at room temperature. Its molecular weight is approximately 254.41 g/mol. This compound has moderate solubility in polar solvents such as ethanol and acetone. It is less soluble in non-polar solvents. The compound exhibits good stability under normal conditions but is reactive towards strong bases and reducing agents.

How is tert-butyl 1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate (CAS: 1032158-48-7) typically synthesized?

Tert-butyl 1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate (CAS: 1032158-48-7) can be synthesized through a multi-step process involving diazotization and subsequent coupling reactions. Commonly, it involves the diazotization of a diamine followed by its condensation with a carboxylic acid or anhydride. This process requires careful control of pH and temperature to achieve high yields and selectivity.

What industries use tert-butyl 1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate (CAS: 1032158-48-7)?

Tert-butyl 1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate (CAS: 1032158-48-7) is used in various industries. It finds applications in pharmaceuticals for drug synthesis, in the production of polymers for advanced materials, and in the development of chemical sensors and semiconductor devices. Its unique structure makes it valuable for its reactivity and stability in different environments.

What precautions should be taken when handling tert-butyl 1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate (CAS: 1032158-48-7)?

When handling tert-butyl 1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate (CAS: 1032158-48-7), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood due to its potential reactivity towards strong bases and reducing agents. In case of a spill, immediately clean up with appropriate absorbents and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.