7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one

Basic Information

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CAS Number

77716-01-9

Molecular Formula

C14H17NO2

Molecular Weight

231.3 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

White to Yellow Solid

Density

1.170±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C1C2COCC(C2=O)CN1CC3=CC=CC=C3

InChI

InChI=1S/C14H17NO2/c16-14-12-7-15(8-13(14)10-17-9-12)6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2

InChIKey

SLLWALHBEBMXSC-UHFFFAOYSA-N

LogP

1.3338999999999999

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

270

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

MFCD17926553
DTXSID50547652
CS-W000408
SLLWALHBEBMXSC-UHFFFAOYSA-N
3-Benzyl-7-oxo-3-aza-bicyclo[3.3.1]nonan-9-one
AS-36100
7-benzyl-3-oxa-7-aza-bicyclo[3.3.1]nonan-9-one
3-Oxa-7-azabicyclo[3.3.1]nonan-9-one, 7-(phenylmethyl)-
A1-03044
EN300-95538
7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
FT-0759448
SCHEMBL288661
77716-01-9
7-(phenylmethyl)-3-oxa-7-azabicyclo[3.3.1] nonan-9-one
AKOS015908662
CDA71601
SB10987
3-BENZYL-7-OXO-3-AZA-BICYCLO[3.3.1NONAN-9-ONE
AM1187
7-(Phenylmethyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
7-benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one

MDL Number

MFCD17926553

FAQ

What is 7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one (CAS: 77716-01-9)?

7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one is a bicyclic organic compound with the CAS number 77716-01-9. It is characterized by a seven-membered ring containing a benzyl group and an azabicyclic structure, with a ketone group attached. This compound is used in pharmaceuticals, research, and as a synthetic intermediate.

What are the main uses of 7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one (CAS: 77716-01-9)?

7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one is primarily used as a precursor in the synthesis of pharmaceuticals, particularly in the production of certain antifungal and anti-inflammatory drugs. It is also utilized in research and development for its structural complexity and potential biological activities.

Is 7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one (CAS: 77716-01-9) safe?

7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one is generally considered safe when handled with appropriate precautions. However, it should be stored away from heat, light, and moisture to prevent degradation. Protective equipment, such as gloves and goggles, should be used during handling to avoid skin and eye contact. Inhaling the compound or its vapors should be avoided.

How should 7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one (CAS: 77716-01-9) be stored?

7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one should be stored in a cool, dry place away from direct sunlight and heat sources. It is best kept in a tightly sealed container to minimize exposure to moisture and air. The storage location should be well-ventilated to prevent the accumulation of potentially flammable vapors. Avoid storing this compound near incompatible materials, such as acids or strong oxidizers.