CAS 58654-66-3

1-Bicyclo[2.2.1]hept-2-ylethanone

Description:

1-Bicyclo[2.2.1]hept-2-ylethanone, with the CAS number 58654-66-3, is a bicyclic ketone characterized by its unique bicyclic structure, which consists of a seven-membered ring fused with a five-membered ring. This compound features a carbonyl group (C=O) at the second position of the bicyclic system, contributing to its reactivity and potential applications in organic synthesis. The presence of the bicyclic framework imparts distinctive steric and electronic properties, influencing its behavior in chemical reactions. Typically, such compounds exhibit moderate volatility and may have a characteristic odor. They can participate in various chemical reactions, including nucleophilic additions and cycloadditions, due to the electrophilic nature of the carbonyl group. Additionally, 1-bicyclo[2.2.1]hept-2-ylethanone may serve as an intermediate in the synthesis of more complex organic molecules, making it of interest in both academic and industrial chemistry. Its stability and reactivity can vary based on the surrounding functional groups and reaction conditions.

Formula: C₉H₁₄O

InChI: InChI=1S/C9H14O/c1-6(10)9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3

InChI key: InChIKey=NDZIFIKZHLSCFR-UHFFFAOYSA-N

SMILES: C(C)(=O)C1C2CC(C1)CC2

Synonyms:

• 1-(3-Bicyclo[2.2.1]heptanyl)ethanone
• 1-(Bicyclo[2.2.1]Hept-2-Yl)Ethanone
• 1-Bicyclo[2.2.1]hept-2-ylethanone
• 1-[Bicyclo[2.2.1]heptan-2-yl]ethan-1-one
• 2-Acetylnorbornane
• Ethanone, 1-bicyclo[2.2.1]hept-2-yl-
• Ketone, methyl 2-norbornyl
• Methyl 2-norbornyl ketone
• NSC 23475
• 1-Bicyclo(2.2.1)hept-2-ylethan-1-one

1-Bicyclo[2.2.1]hept-2-ylethanone

CAS: 58654-66-3

1-Bicyclo[2.2.1]hept-2-ylethanone

Purity: ≥95%

Molecular weight: 138.21g/mol

Ref: 54-OR322464

1-Bicyclo[2.2.1]hept-2-ylethanone

CAS: 58654-66-3

The bicyclo[2.2.1]hept-2-ylethanone is an isomer of the bicyclo[2.2.1]heptane, with a ketone group in place of a methylene group on one ring. It is a mixture of two isomers: the cis and trans form, which are in equilibrium with each other at room temperature. The equilibrium constants for this reaction are Kcis = 6.6×10 and Ktrans = 1.4×10 at 25°C and pH 7, respectively, which means that the trans isomer predominates at low concentrations and the cis form predominates at high concentrations.

Formula: C₉H₁₄O

Purity: Min. 95%

Molecular weight: 138.21 g/mol

Ref: 3D-FB114448