Tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate

Basic Information

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CAS Number

198835-06-2

Molecular Formula

C11H17NO3

Molecular Weight

211.26 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

Boiling Point

308 ºC

Flash Point

140 ºC

SMILES

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CC(C)(C)OC(=O)N1CC2CC1CC2=O

InChI

InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)5-9(7)13/h7-8H,4-6H2,1-3H3

InChIKey

YGENGNQEVDONGO-UHFFFAOYSA-N

LogP

1.5848

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

305

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

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

tert-Butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
2-Boc-5-oxo-2-aza-bicyclo[2.2.1]heptane
tert-butyl 5-oxo-2-aza-bicyclo[2.2.1]heptane-2-carboxylate
tert-Butyl 5-oxo-2-azabicyclo-[2.2.1]heptane-2-carboxylate
WT1524
tert-butyl 5-o×o-2-aza-bicyclo[2.2.1]heptane-2-carbo×ylate
5-Oxo-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-diMethylethyl ester
tert-butyl5-oxo-2-aza-bicyclo[2.2.1]heptane-2-carboxylate
TRA0066977
PB29588
SY042190
AM803459
2-Boc-2-a
tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
2-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID, 5-OXO-, 1,1-DIMETHYLETHYL ESTER
2-BOC-5-OXO-2-AZA-BICYCLO[2.2.1]HEPTANE
CS-W008809
tert-butyl 5-oxidanylidene-2-azabicyclo[2.2.1]heptane-2-carboxylate
DTXSID20585546
1932590-17-4
MFCD22209795
EN300-37374
5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
BS-14027
(1S,4S)-2-Boc-2-azabicyclo[2.2.1]heptan-5-one
tert-Butyl5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
SY318659
A814031
SY310808
MFCD30478162

MDL Number

MFCD09040745

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate (CAS: 198835-06-2)?

Tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate (CAS: 198835-06-2) falls under the scope of various regulatory guidelines. Under the Globally Harmonized System (GHS), it is classified under the category of chemicals with potential health and environmental hazards. Additionally, it is regulated under the REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) framework in the European Union, requiring manufacturers and importers to register substances above a threshold of one tonne per year. In the United States, it must comply with FDA and EPA regulations concerning the import, handling, and disposal of chemicals for safety and environmental protection.

Are there alternatives to Tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate in synthesis?

Several alternatives to Tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate can be considered in synthesis, depending on the specific reaction requirements. Common alternatives include other oxocarboxylic acids, such as tert-butyl oxopropanoate, and other 2-azabicyclo[2.2.1]heptane derivatives. Additionally, researchers may explore the use of isomers or analogs of the compound to achieve similar functionalities with potentially improved properties or reduced toxicity.

What is the market or research trend for Tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate?

The market and research trends for Tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate are driven by its diverse applications in pharmaceuticals and materials science. Recent trends indicate increasing interest in developing new drug candidates and improving existing ones, leveraging the unique chemical properties of this compound. Research efforts are also focused on its potential in polymer chemistry and as a precursor in organic synthesis. Market demand is expected to grow as more applications are discovered and optimized.

How should waste containing Tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate (CAS: 198835-06-2) be handled?

Waste containing Tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate (CAS: 198835-06-2) should be handled according to the guidelines set by local regulations and safety protocols. Waste liquid should be collected in appropriate containers and neutralized if necessary to reduce toxicity. For solid waste, it should be stored in lined containers to prevent contamination of the environment. Incineration is a common method for disposal, but professional waste disposal services should be employed to ensure compliance with environmental protection standards. Proper labeling and documentation of waste handling is crucial to avoid health and environmental risks.