Diphenyl(quinuclidin-4-yl)methanol

Basic Information

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CAS Number

461648-39-5

Molecular Formula

C20H23NO

Molecular Weight

293.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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C1CN2CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-11-14-21(15-12-19)16-13-19/h1-10,22H,11-16H2

InChIKey

VUUAKOZGGDHCRP-UHFFFAOYSA-N

LogP

3.408400000000002

Topological Polar Surface Area

23.47 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

341

Synonyms & References

English

1-Azabicyclo[2.2.2]oct-4-yl(diphenyl)methanol
AG-F-41689
1-Azabicyclo[2.2.1]heptane-3-carboxaldehyde(9CI)
1-AAZABICYCLO[2.2.1]HEPTANE-3-CARBALDEHYDE
CTK1D5215
KB-151848
1-Azabicyclo[2.2.1]heptane-3-carboxaldehyde
(1-Azabicyclo[2.2.2]oct-4-yl)(diphenyl)methanol
1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenyl-
diphenyl(quinuclidin-4-yl)methanol
Oprea1_569800
1-Azabicyclo[2.2.2]octane-4-methanol, a,a-diphenyl-
VUUAKOZGGDHCRP-UHFFFAOYSA-N
1-Azabicyclo[2.2.2]octane-4-methanol, alpha,alpha-diphenyl-
BCP14258
Diphenyl(quinuclidin-4-yl)metha nol
STK177311
SB17913
1-azabicyclo[2.2.2]oc
1-Azabicyclo[2.2.2]octane-4-Methanol, ,-diphenyl-
461648-39-5
SY249699
1-Azabicyclo[2.2.2]octane-4-methanol, a,a-diphenyl-; a,a-Diphenyl-1-azabicyclo[2.2.2]octane-4-methanol; (1-Azabicyclo[2.2.2]oct-4-yl)(diphenyl)methanol; 1-Azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol; GW 351185X
AKOS027339741
CHEMBL1186757
Diphenyl(4-quinuclidinyl)methanol
AMY30048
MFCD03257303
1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol
CS-M1579
A919126

MDL Number

MFCD03257303

FAQ

What are the physical and chemical properties of Diphenyl(quinuclidin-4-yl)methanol (CAS: 461648-39-5)?

Diphenyl(quinuclidin-4-yl)methanol (CAS: 461648-39-5) is a colorless to white crystalline solid with a molecular weight of approximately 319.34 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. This compound exhibits mild reactivity, primarily undergoing esterification and nucleophilic substitution reactions under specific conditions.

How is Diphenyl(quinuclidin-4-yl)methanol (CAS: 461648-39-5) typically synthesized?

Diphenyl(quinuclidin-4-yl)methanol (CAS: 461648-39-5) is synthesized through a multi-step process involving the alkylation of quinuclidin-4-ol with phenyl methyl ether. The synthesis typically involves the use of a phase transfer catalyst and occurs under mild to moderate conditions. Yields are usually in the 70-80% range, with good selectivity to the desired product.

What industries use Diphenyl(quinuclidin-4-yl)methanol (CAS: 461648-39-5)?

Diphenyl(quinuclidin-4-yl)methanol (CAS: 461648-39-5) is primarily used in the pharmaceutical industry for the development of certain medicinal compounds. It also finds applications in the polymer industry for enhancing properties of polymers and in the sensor industry for developing chemical and biological sensors.

What precautions should be taken when handling Diphenyl(quinuclidin-4-yl)methanol (CAS: 461648-39-5)?

When handling Diphenyl(quinuclidin-4-yl)methanol (CAS: 461648-39-5), it is important to use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be performed in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate safety measures. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.