(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-one

Basic Information

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CAS Number

28957-72-4

Molecular Formula

C14H17NO

Molecular Weight

215.3 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 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 Liquid

Melting Point

28.5-30.5 °C

Boiling Point

124°C/0.2mmHg

Density

1.5560

Flash Point

151℃

Refractive Index

1.556

SMILES

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C1CC2CC(=O)CC1N2CC3=CC=CC=C3

InChI

InChI=1S/C14H17NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2

InChIKey

RSUHKGOVXMXCND-UHFFFAOYSA-N

LogP

2.3825000000000003

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

254

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

Z905065832
NS00040739
n-benzyl tropinone
EN300-75037
8-AZABICYCLO[3.2.1]OCTAN-3-ONE, 8-(PHENYLMETHYL)-
SY001229
28957-72-4
MFCD00151640
B4058
F2113-0623
DTXSID90951577
8-(Phenylmethyl)-8-azabicyclo[3.2.1]octane-3-one
BB 0304922
AKOS011240351
A819692
FT-0600826
RSUHKGOVXMXCND-UHFFFAOYSA-N
8-benzyl-8-azabicyclo[3.2. 1 ]octan-3-one
J-500369
EINECS 249-329-3
8-(Phenylmethyl)-8-azabicyclo[3.2.1]octan-3-one
N-Benzyl-8-azabicyclo[3.2.1]octan-3-one
8-benzyl-8-azabicyclo[3.2.1]octan-3-one
8-Benzyl-8-azabicyclo(3.2.1)octan-3-one
FS-2654
N-Benzylnortropinone
DS-0474
PB27437
SCHEMBL707808
8-BENZYL-8-AZA-BICYCLO[3.2.1]OCTAN-3-ONE
CS-M0616

MDL Number

MFCD00151640

Customs Code

2933990090

FAQ

What regulatory guidelines apply to (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-one (CAS: 28957-72-4)?

The compound (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-one (CAS: 28957-72-4) is subject to regulatory guidelines such as the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements for chemical safety. Manufacturers and handlers must comply with these guidelines to ensure safe handling and transportation.

Are there alternatives to (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-one in synthesis?

In synthesis, (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-one (CAS: 28957-72-4) can be replaced by its isomers or analogs such as (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-one. Common alternative reagents include other aminocyclooctenes or similar functionalized aminocyclooctanes, depending on the specific synthetic route and application.

What is the market or research trend for (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-one?

The market for (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-one (CAS: 28957-72-4) shows increasing research interest due to its potential applications in medicinal chemistry, particularly as a precursor for drug development. Recent trends indicate a focus on its use in the synthesis of more complex molecules and its role in creating novel pharmaceuticals.

How should waste containing (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-one (CAS: 28957-72-4) be handled?

Waste containing (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-one (CAS: 28957-72-4) should be collected in suitable containers and disposed of according to local regulations. For safe disposal, consider incineration or professional waste disposal services. Ensure all handling and disposal methods comply with environmental protection guidelines to minimize ecological impact.