16852-81-6

Basic information

• Product Name: OXYLIDIN
• Synonyms: Benzoclidine;Benzoic acid 1-azabicyclo[2.2.2]octan-3-yl ester;Quinuclidinyl benzoate;quinuclidin-3-yl benzoate
• CAS NO: 16852-81-6
• Molecular Formula: C₁₄H₁₇NO₂
• Molecular Weight: 231.29
• Mol File: 16852-81-6.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 333.7°Cat760mmHg
• Flash Point: 125.4°C
• Appearance: /
• Density: 1.18g/cm³
• Vapor Pressure: 0.000134mmHg at 25°C
• Refractive Index: 1.585
• PKA: 9.03±0.33(Predicted)
• CAS DataBase Reference: OXYLIDIN(CAS DataBase Reference)
• NIST Chemistry Reference: OXYLIDIN(16852-81-6)
• EPA Substance Registry System: OXYLIDIN(16852-81-6)

Safety Data

• Hazardous Substances Data: 16852-81-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H17NO2/c16-14(12-4-2-1-3-5-12)17-13-10-15-8-6-11(13)7-9-15/h1-5,11,13H,6-10H2

Upstream product

• 854934-70-6 (3R)-1-azabicyclo[2.2.2]oct-3-yl benzoate (L)-tartrate 
• 98-88-4 benzoyl chloride 
• 1619-34-7 3-quinuclidinol 

Downstream Products

• 1375467-61-0 Br^(1-)*C₂₁H₂₄NO₂⁽¹⁺⁾ 
• 854934-70-6 (3R)-1-azabicyclo[2.2.2]oct-3-yl benzoate (L)-tartrate 
• 854934-71-7 (3S)-1-azabicyclo[2.2.2]oct-3-yl benzoate (D)-tartrate 

Relevant articles and documents

FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES

Compounds of formula (I) wherein n is 0, 1, or 2; A is N or N+-O-; X is O, S, -NH-, and -N-alkyl-; Ar1 is a 6-membered aromatic ring; and Ar2 is a fused bicycloheterocycle. The compounds are useful in treating conditions or disorders prevented by or ameliorated by a7 nAChR ligands. Also disclosed are pharmaceutical compositions having compounds of formula (I) and methods for using such compounds and compositions.

Fused bicycloheterocycle substituted quinuclidine derivatives

Compounds of formula (I) wherein n is 0, 1, or 2; A is N or N+—O?; X is O, S, —NH—, and —N-alkyl-; Ar1 is a 6-membered aromatic ring; and Ar2 is a fused bicycloheterocycle. The compounds are useful in treating conditions or disorders prevented by or ameliorated by α7 nAChR ligands. Also disclosed are pharmaceutical compositions having compounds of formula (I) and methods for using such compounds and compositions.

(+)-3-[2-(Benzo[b]thiophen-2-yl)-2-oxoethyl]-1-azabicyclo[2.2.2]-octane as potent agonists for the α7 nicotinic acetylcholine receptor

A series of 3-substituted 1-azabicyclo[2.2.2]octanes was discovered as the α7 nicotinic acetylcholine (α7) receptor agonists. It was found that (+)-3-[2-(benzo[b]thiophen-2-yl)-2-oxoethyl]-1-azabicyclo[2.2.2]octane (+)-15b has potent agonistic activity for the α7 receptor.