2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetonitrile|918344-20-4,AngeneChemical

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-

O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]

Tris(dibenzylideneacetone)dipalladium

C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C

Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetonitrile

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Chemical Name:	2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetonitrile
CAS Number:	918344-20-4
Product Number:	AG00GWQW(AGN-PC-00PW9I)
Synonyms:
MDL No:
Molecular Formula:	C14H17NO2
Molecular Weight:	231.29028

Identification/Properties
Safety Information
NMR Spectrum
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Identification/Properties

Computed Properties

Molecular Weight:

231.295g/mol

XLogP3:

2.8

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

231.126g/mol

Monoisotopic Mass:

231.126g/mol

Topological Polar Surface Area:

64.2A^2

Heavy Atom Count:

Formal Charge:

Complexity:

293

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:

N/A

Signal Word:

UN#:

Hazard Statements:

Precautionary Statements:

Class:

Packing Group:

NMR Spectrum

Other Analytical Data

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Chemical Structure

2-(1-Hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetonitrile, commonly referred to as $name$, is a versatile compound widely utilized in chemical synthesis due to its unique structural properties and reactivity. This molecule serves as a valuable building block in the development of novel pharmaceuticals, agrochemicals, and specialty chemicals.In chemical synthesis, $name$ is commonly employed as a key intermediate in the production of various pharmaceutical agents and organic compounds. Its hydroxyl and acetonitrile functional groups enable it to participate in a variety of reactions, such as nucleophilic substitutions, condensations, and cyclizations, leading to the formation of complex molecular structures with high purity and yield.The presence of the hydroxycyclohexyl and hydroxyphenyl moieties in $name$ imparts significant stereochemical and conformational effects, making it a valuable chiral building block for the synthesis of enantiomerically pure compounds. This capability is particularly valuable in the pharmaceutical industry, where chirality often plays a crucial role in determining the biological activity and pharmacokinetic properties of drug candidates.Additionally, the acetonitrile group in $name$ serves as a versatile functional group that can be further modified or derivatized to introduce additional chemical functionalities, such as amines, carboxylic acids, or heterocyclic rings. This flexibility allows for the synthesis of a diverse range of chemical structures with tailored properties and applications.Overall, the application of 2-(1-Hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetonitrile in chemical synthesis offers researchers and chemists a powerful tool for the efficient construction of complex molecules with therapeutic, agricultural, and industrial significance.