2-azabicyclo[2.2.1]hept-5-en-3-one

Basic Information

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CAS Number

49805-30-3

Molecular Formula

C6H7NO

Molecular Weight

109.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

56.0 to 60.0 deg-C

Boiling Point

102-106 °C/0.25 mmHg

Water Solubility

>1000 g/L (23 ºC)

Refractive Index

1.5040 (estimate)

SMILES

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C1C2C=CC1NC2=O

InChI

InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)

InChIKey

DDUFYKNOXPZZIW-UHFFFAOYSA-N

LogP

0.06089999999999973

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

162

Safety Information

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GHS Hazard Pictograms

H302

H317

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

MFCD00211274
(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one
FT-0600312
(-)-2-Azabicyclo[2,2,1]hept-5-en-3-one
AKOS006223009
SB18484
2-Azabicyclo[2.2.1]hept-5-en-3-one #
racemic 2-aza bicyclo[2.2.1]hept-5-ene-3-one
(+/-)-2-azabicyclo [2.2.1]hept-5-en-3-one
4-Amino-2-cyclopentene-1-carboxylic acid lactam
(-)-2-azabicyclo [2.2.1] hept-5-en-3one
FT-0643143
DTXSID40868505
NS00010138
61865-48-3
FT-0601151
MFCD00211275
rac 2-Azabicyclo[2.2.1]hept-5-en-3-one
J-650015
J-650014
3-Oxo-2-azabicyclo[2.2.1]hept-5-ene
SY096758
Q-200006
A827858
azabicyclo[2.2.1]hept-5-en-3-one
(-)-2-azabicyclo [2.2.1]hept-5-en-3-one
AC-6114
(+/-)-2-azabicyclo[2.2.1 ]hept-5-en-3-one
J-500009
EC 421-830-3
CS-W019811

MDL Number

MFCD00213364

Customs Code

2933790090

FAQ

What is 2-azabicyclo[2.2.1]hept-5-en-3-one (CAS: 49805-30-3)?

2-Azabicyclo[2.2.1]hept-5-en-3-one (CAS: 49805-30-3) is a cyclic ketone compound featuring an azine ring system. Its chemical formula is C5H7NO, and it is characterized by a seven-membered ring with a carbonyl group (C=O) and nitrogen atoms. This compound is known for its reactivity in organic synthesis and is often used as an intermediate in the production of pharmaceuticals and other chemicals.

What are the main uses of 2-azabicyclo[2.2.1]hept-5-en-3-one (CAS: 49805-30-3)?

2-Azabicyclo[2.2.1]hept-5-en-3-one (49805-30-3) is primarily used in pharmaceutical research as a precursor for synthesizing bioactive molecules. It also serves as an industrial intermediate in the manufacture of agrochemicals and specialty chemicals. Additionally, it is valued in organic chemistry for its role in creating complex ring structures and functional groups in drug development.

Is 2-azabicyclo[2.2.1]hept-5-en-3-one (CAS: 49805-30-3) safe?

2-Azabicyclo[2.2.1]hept-5-en-3-one (49805-30-3) requires careful handling due to potential irritancy to skin, eyes, and respiratory systems. While it is not classified as highly toxic, safety protocols include using appropriate PPE, ensuring proper ventilation, and avoiding direct contact. Always follow OSHA and REACH guidelines for safe exposure and disposal.

How should 2-azabicyclo[2.2.1]hept-5-en-3-one (CAS: 49805-30-3) be stored?

2-Azabicyclo[2.2.1]hept-5-en-3-one (49805-30-3) should be stored in a cool, dry, and dark place, ideally at 2-8°C, to maintain stability. It requires a sealed container to prevent moisture absorption and exposure to air. Avoid direct light and ensure proper ventilation to safeguard against potential chemical interactions or degradation.