461648-39-5

Basic information

• Product Name: 1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenyl-
• Synonyms: 1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenyl-;(1-Azabicyclo[2.2.2]oct-4-yl)(diphenyl)methanol
• CAS NO: 461648-39-5
• Molecular Formula: C₂₀H₂₃NO
• Molecular Weight: 293.40272
• Mol File: 461648-39-5.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 440.3±25.0 °C(Predicted)
• Appearance: /
• Density: 1.18±0.1 g/cm3(Predicted)
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 13.34±0.29(Predicted)
• CAS DataBase Reference: 1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenyl-(461648-39-5)
• EPA Substance Registry System: 1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenyl-(461648-39-5)

Safety Data

• Hazardous Substances Data: 461648-39-5(Hazardous Substances Data)

Usage

Uses

(1-Azabicyclo[2.2.2]oct-4-yl)(diphenyl)methanol is a reagent used in the preparation of Umeclidinium Bromide-d5 (U710002) which is considered as a potentially long-acting antimuscarinic agent.

Upstream product

• 22766-68-3 azabicyclo[2.2.2]octane-4-carboxylic acid ethyl ester 
• 591-51-5 phenyllithium 
• 1126-09-6 4-carbethoxypiperidine 
• 540-51-2 2-bromoethanol 
• 107-07-3 2-chloro-ethanol 
• 869112-14-1 1-(2-chloroethyl)-4-piperidinecarboxylic acid ethyl ester 
• 100-58-3 phenylmagnesium bromide 
• 40117-63-3 1-azabicyclo[2.2.2]octane-4-carboxylic acid hydrochloride 
• 939900-20-6 C₁₀H₁₉NO₃ 
• 37586-22-4 4-benzoylpiperidine 
• 195507-51-8 (1-(2-chloroethyl)piperidin-4-yl)(phenyl)methanone 
• 2181-19-3 4-bromo-quinuclidine 
• 119-61-9 benzophenone 
• 26458-74-2 quinuclidin-4-ol 

Downstream Products

• 869113-09-7 Umeclidinium bromide 
• 1138468-12-8 1-(2-{[(2-cyanophenyl)methyl]oxy}ethyl)-4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide 
• 1138468-15-1 1-(2-{[(3-bromophenyl)methyl]oxy}ethyl)-4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide 
• 1138468-26-4 1-(2-{[(2-fluorophenyl)methyl]oxy}ethyl)-4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide 
• 1138468-18-4 4-[hydroxy(diphenyl)methyl]-1-(2-{[(3-methylphenyl)methyl]oxy}ethyl)-1-azoniabicyclo[2.2.2]octane bromide 
• 1138468-20-8 1-(2-{[(2-bromophenyl)methyl]oxy}ethyl)-4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide 
• 1138468-22-0 4-[hydroxy(diphenyl)methyl]-1-(2-{[(4-methylphenyl)methyl]oxy}ethyl)-1-azoniabicyclo[2.2.2]octane bromide 
• 1138468-24-2 4-[hydroxy(diphenyl)methyl]-1-(2-{[(2-methylphenyl)methyl]oxy}ethyl)-1-azoniabicyclo[2.2.2]octane bromide 
• 1138467-99-8 4-[hydroxy(diphenyl)methyl]-1-[5-(phenyloxy)pentyl]-1-azoniabicyclo[2.2.2]octane bromide 

Relevant articles and documents

Preparation method of umeclidinium bromide intermediate

The invention relates to a preparation method of an umeclidinium bromide intermediate. The preparation method comprises the following steps: in a solvent, carrying out cyclization reaction on a compound as shown in a formula I, and conducting salifying wi

1 - Azabicyclo [2, 2, 2] octan -4 -phenyl ketone compound as well as preparation method and application thereof

The invention provides 1-bicyclic aza[2,2,2]octyl-4-phenyl ketone compound as well as a preparation method and application thereof. Proofed by detection, the structure of the 1-bicyclic aza[2,2,2]octyl-4-phenyl ketone compound is a compound 1. The compound can be used for preparing an umeclidinium bromide medicine for treating COPD (chronic obstructive pulmonary disease), namely that 1-(2-chloroethyl ethyl)-4-benzoyl piperidine is prepared by 4-benzoyl piperidine, and then is subject to ring closing to obtain the compound 1; the compound 1 is further added with a phenyl nucleophilic reagent, and is salted, so as to obtain the umeclidinium bromide. The preparation method has the advantages that the cost is low, the operation is simple and convenient, the preparation method is suitable for industrial production, and the application value is larger. (The formula is shown in the description.).

A More Sustainable Process for Preparation of the Muscarinic Acetylcholine Antagonist Umeclidinium Bromide

A more sustainable process for the synthesis of the long-acting muscarinic acetylcholine antagonist umeclidinium bromide is described. Specifically, we report the synthesis of ethyl 1-(2-chloroethyl)-4-piperidinecarboxylate, a key intermediate in the prep