tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

Basic Information

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CAS Number

185099-67-6

Molecular Formula

C12H19NO3

Molecular Weight

225.29 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

Physical State

White to Yellow Solid

Melting Point

69.0 to 73.0 deg-C

Boiling Point

325.8°C at 760 mmHg

Density

1.1390

Flash Point

150.8℃

Refractive Index

1.507

SMILES

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CC(C)(C)OC(=O)N1C2CCC1CC(=O)C2

InChI

InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-9H,4-7H2,1-3H3/t8-,9+

InChIKey

MENILFUADYEXNU-DTORHVGOSA-N

LogP

2.1174

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

303

Safety Information

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GHS Hazard Pictograms

H318

Hazard Statement

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

N-Boc-4-Nortropinone
3-Oxo-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid, tert-butyl ester
FT-0600825
3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
SY004645
F0001-0668
tert-Butyl 3-oxo-8-azabicyclo[3.2.1]octan-8-carboxylate
tert-butyl 3-oxo-8-aza-bicyclo[3.2.1]octan-8-carboxylate
DTXSID30383393
185099-67-6
tert-Butyl 3-oxo-8-azaicyclo[3.2.1]octane-8-carboxylate
SCHEMBL413300
Arachidicanhydride
B3401
tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
W-206330
EN300-52945
t-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
AKOS004910704
8-Boc-8-azabicyclo[3.2.1]octan-3-one
A812919
CS-W001484
Z763781734
N-Boc-nortropinone
tert-butyl 3-oxo-8-aza-bicyclo[3.2.1]octane-8-carboxylate
MENILFUADYEXNU-UHFFFAOYSA-N
PS-3552
PB27511
HY-W001484
AC-4223
8-Boc-3-oxo-8-aza-bicyclo[3.2.1]octane

MDL Number

MFCD00673779

Customs Code

2933990090

FAQ

What is tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS: 185099-67-6)?

Tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate is an organic compound with the molecular formula C8H12N2O3. It is a cyclic amide with a tert-butyl substituent. This compound is used in the pharmaceutical and research industries for various applications due to its unique structural features.

What are the main uses of tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS: 185099-67-6)?

Tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate is primarily used in the pharmaceutical industry as an intermediate for synthesizing complex molecules. It is also utilized in academic and industrial research for its structural properties and potential biological activities.

Is tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS: 185099-67-6) safe?

Tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate is relatively safe for handling when appropriate precautions are taken. It is not considered highly toxic or reactive. However, prolonged or repeated exposure to this compound may cause skin irritation. It is important to follow safety guidelines, such as wearing personal protective equipment (PPE) and handling in a well-ventilated area. Storage should be in a secure, dry location away from heat and direct sunlight.

How should tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS: 185099-67-6) be stored?

Tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate should be stored in a cool, dry place, protected from heat and direct sunlight. It should be kept in a tightly closed container to prevent moisture absorption. The storage area should be well-ventilated to minimize the risk of inhalation exposure. It is advisable to store this compound at room temperature (15-25°C) and avoid temperatures above 30°C to maintain stability. Handle with care to prevent spills or leaks.