Tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Basic Information

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CAS Number

954236-44-3

Molecular Formula

C13H21NO4

Molecular Weight

255.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Density

1.16

SMILES

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CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CO2

InChI

InChI=1S/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

InChIKey

XDSCHYPLQWGQRC-UHFFFAOYSA-N

LogP

1.7454999999999998

Topological Polar Surface Area

55.84 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

351

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
3-Oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid tert-butyl ester
tert-Butyl 3-oxo-1-oxa-8-azaspiro-[4.5]decane-8-carboxylate
tert-butyl-3-oxo-1-oxa-8-azaspiro[4,5]decane-8-carboxylate
3-Oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl 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
PubChem22986
1-OXA-8-AZASPIRO[4.5]DECANE-8-CARBOXYLIC ACID, 3-OXO-, 1,1-DIMETHYLETHYL ESTER
N-BOC-3-OXO-1-OXA-8-AZA-SPIRO[4.5]DECANE
XDSCHYPLQWGQRC-UHFFFAOYSA-N
3 tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8
1,1-Dimethylethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (ACI)
tert-Butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
954236-44-3
tert-butyl3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
8-Boc-1-oxa-8-azaspiro[4.5]decan-3-one
t-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CS-0000738
AKOS015841264
DB-001083
BCP26857
N-BOC-3-OXO-1-OXA-8-AZASPIRO[4.5]DECANE
SY096848
3-OXO-1-OXA-8-AZA-SPIRO[4.5]DECANE-8-CARBOXYLIC ACID TERT-BUTYL ESTER
PB23793
Z1505699044
DTXSID70669688
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
SCHEMBL2428542
MFCD10001421

MDL Number

MFCD10001421

Customs Code

2934999090

FAQ

What regulatory guidelines apply to Tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CAS: 954236-44-3)?

Tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CAS: 954236-44-3) falls under the scope of GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for classification and labelling. In the European Union, it is regulated under REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) with specific requirements for registration and reporting. Additionally, FDA and EPA have specific guidelines for the handling and disposal of this compound, focusing on safety and environmental protection.

Are there alternatives to Tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CAS: 954236-44-3) in synthesis?

Several alternatives can be used in the synthesis of Tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CAS: 954236-44-3), such as tert-butyl 4-oxo-1,4-diazaspiro[4.5]decane-8-carboxylate. Other common reagents include tert-butyl 3-oxo-1-oxa-7-azaspiro[4.5]decane-7-carboxylate and tert-butyl 3-oxo-1-oxa-9-azaspiro[4.5]decane-9-carboxylate, which can serve as effective substitutes depending on the specific reaction conditions and target product.

What is the market or research trend for Tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CAS: 954236-44-3)?

The market for Tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CAS: 954236-44-3) is growing due to its use in various applications such as pharmaceuticals and materials science. Research trends are focusing on its potential in drug discovery and as a building block for complex organic synthesis. Price trends indicate a steady demand with moderate fluctuations depending on supply and demand dynamics. Emerging research fields include its use as a template for constructing larger molecular architectures and as a precursor in biodegradable materials.

How should waste containing Tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CAS: 954236-44-3) be handled?

Waste containing Tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CAS: 954236-44-3) should be collected in appropriate containers and managed according to local regulations. Incineration is a common method, but professional waste disposal services are recommended to ensure compliance with environmental protection standards. Precautions include proper ventilation and personal protective equipment to minimize exposure. Additionally, it is important to follow GHS guidelines for safe handling and disposal to prevent environmental contamination.