Benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

Basic Information

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CAS Number

130753-13-8

Molecular Formula

C15H17NO3

Molecular Weight

259.3 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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Sticky Oil to Semi-Solid

Melting Point

30-40°C

Boiling Point

415.7°C at 760 mmHg

Flash Point

205.2℃

SMILES

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C1CC2CC(=O)CC1N2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C15H17NO3/c17-14-8-12-6-7-13(9-14)16(12)15(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2

InChIKey

RMIQGRJJCNFRRU-UHFFFAOYSA-N

LogP

2.519100000000001

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

346

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

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

Synonyms & References

English

MFCD14279161
DTXSID80926890
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-oxo-, phenylmethyl ester
Benzyl 3-oxo-8-azabicyclo-[3.2.1]octane-8-carboxylate
130753-13-8
EN300-7030645
RMIQGRJJCNFRRU-UHFFFAOYSA-N
Benzyl3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
Benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
SCHEMBL154134
8-Benzyloxycarbonyl-8- azabicyclo[3.2.1]octan-3-one
FT-0630278
benzyl 3-oxo-8-aza-bicyclo[3.2.1]octane-8-carboxylate
3-oxo-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid benzyl ester
DS-1099
N-Cbz-4-Nortropinone
AKOS015909368
3-oxo-8-azabicyclo[3,2,1]octan-8-carboxylic acid benzyl ester
AMY4949
AC-4294
SB19958
CS-W001259
SY004646
N-Cbz-Nortropinone
N-CBZ-NORTROPINONE
N-Cbz-Notropinone
N-CBZNORTROPINONE
3-oxo-8-azabicyclo[3.2.1]octan-8-carboxylic acid benzyl ester
8-benzyloxycarbonyl-8-azabicyclo[3.2.1]octan-3-one
8-Cbz-3-oxo-8-azabicyclo[3.2.1]octane
benzyl 4-oxotropane-N-carboxylate

MDL Number

MFCD14279161

Customs Code

2933990090

FAQ

What is Benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS: 130753-13-8)?

Benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS: 130753-13-8) is a chemical compound with the molecular formula C13H16N2O4. It has a distinctive structure with a benzyl group, a 3-oxo-8-azabicyclo[3.2.1]octane ring, and a carboxylic acid group. This compound is characterized by its stability and specific functional groups, making it useful in various applications.

What are the main uses of Benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS: 130753-13-8)?

Benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS: 130753-13-8) is primarily used in pharmaceuticals for its potential as a precursor in drug synthesis. It also finds applications in research, particularly in the development of new chemical entities. Its versatility makes it valuable in the synthesis of complex molecules.

Is Benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS: 130753-13-8) safe?

Benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS: 130753-13-8) is considered safe when handled with proper precautions. It should be stored in a cool, dry place away from direct sunlight and heat sources. Protective equipment such as gloves and goggles should be worn during handling to prevent skin contact and eye irritation. Always follow safety guidelines and consult the Material Safety Data Sheet (MSDS) for more detailed safety information.

How should Benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS: 130753-13-8) be stored?

Benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS: 130753-13-8) should be stored in a cool, dry environment to maintain its stability. It should be kept away from direct sunlight and heat sources to prevent degradation. Storage in amber bottles or other light-protective containers is recommended to minimize exposure to light. Proper ventilation is also essential to maintain a safe working environment.