Cyclohexanone, 2-(phenylmethyl)-|946-33-8,AngeneChemical

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Cyclohexanone, 2-(phenylmethyl)-

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Chemical Name:	Cyclohexanone, 2-(phenylmethyl)-
CAS Number:	946-33-8
Product Number:	AG003GL3(AGN-PC-0JM3BV)
Synonyms:
MDL No:
Molecular Formula:	C13H16O
Molecular Weight:	188.26554

Identification/Properties
Safety Information
NMR Spectrum
Other Analytical Data
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Identification/Properties

Properties

MP:

28-30°C

BP:

103-105 °C0.2 mm Hg(lit.)

Form:

Liquid

Refractive Index:

n20/D 1.536(lit.)

Computed Properties

Molecular Weight:

188.27g/mol

XLogP3:

2.9

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

188.12g/mol

Monoisotopic Mass:

188.12g/mol

Topological Polar Surface Area:

17.1A^2

Heavy Atom Count:

Formal Charge:

Complexity:

191

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

Compound Is Canonicalized:

Yes

Safety Information

GHS Pictogram:

Signal Word:

Warning

UN#:

Hazard Statements:

H315-H319-H335

Precautionary Statements:

P261-P305+P351+P338

Class:

Packing Group:

NMR Spectrum

Other Analytical Data

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Chemical Structure

2-Benzylcyclohexanone is a versatile compound widely used in chemical synthesis as a key building block in the production of various pharmaceuticals, agrochemicals, and fine chemicals. Its unique structure provides opportunities for diverse reactions and transformations, making it an essential intermediate in organic chemistry.In organic synthesis, 2-Benzylcyclohexanone serves as a valuable starting material for the preparation of complex molecules due to its ability to undergo functional group interconversions and selective reactions. It can be utilized in the synthesis of cyclic compounds, such as indole derivatives, amino alcohols, and heterocycles, through a variety of chemical transformations including reduction, oxidation, and substitution reactions.Moreover, 2-Benzylcyclohexanone plays a crucial role in the development of new chemical entities with biological activity. Its incorporation into drug molecules has been shown to enhance pharmacological properties by modulating the compound's physicochemical characteristics and biological interactions. Additionally, the presence of the benzyl group facilitates further modifications to optimize the desired biological activity and enhance the compound's potency.Overall, the application of 2-Benzylcyclohexanone in chemical synthesis offers a wide range of possibilities for the design and synthesis of valuable compounds with diverse applications in the fields of pharmaceuticals, agrochemicals, and materials science.