137661-30-4

Basic information

• Product Name: 1-Azabicyclo[2.2.2]octan-3-aMine,Monohydrochloride, (3S)- (9CI)
• Synonyms: 1-Azabicyclo[2.2.2]octan-3-aMine,Monohydrochloride, (3S)- (9CI)
• CAS NO: 137661-30-4
• Molecular Formula: C₇H₁₄N₂*2ClH
• Molecular Weight: 162.6604
• Mol File: 137661-30-4.mol
• Article Data: 8

Chemical Properties

• Appearance: /
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-Azabicyclo[2.2.2]octan-3-aMine,Monohydrochloride, (3S)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Azabicyclo[2.2.2]octan-3-aMine,Monohydrochloride, (3S)- (9CI)(137661-30-4)
• EPA Substance Registry System: 1-Azabicyclo[2.2.2]octan-3-aMine,Monohydrochloride, (3S)- (9CI)(137661-30-4)

Safety Data

• Hazardous Substances Data: 137661-30-4(Hazardous Substances Data)

Usage

Explanation

Different sources of media describe the Explanation of 137661-30-4 differently. You can refer to the following data:
1. The molecular formula represents the number of atoms of each element present in a molecule of the compound.
2. Bicyclic amine
2. The compound has two rings in its structure, and it contains an amine functional group (-NH2).
3. Pharmaceutical intermediate
3. It is used in the synthesis of various drugs, acting as a precursor or building block in the production process.
4. Monohydrochloride salt
4. The compound is a salt formed by the reaction of 1-Azabicyclo[2.2.2]octan-3-aMine with hydrochloric acid (HCl).
5. The stereochemistry of the compound is specifically designated as (3S)-, indicating the spatial arrangement of the atoms around the chiral center at the 3rd position.
6. Due to its unique structural and chemical properties, the compound has a variety of potential applications in the field of medicinal chemistry and drug development.
7. The compound may pose health risks, and its use is governed by strict regulations and safety protocols.
8. The compound should be handled and stored with care to minimize the risk of exposure and potential health hazards.

Stereochemistry

(3S)-

Potential applications

Medicinal chemistry and drug development

Health hazards

Potential health risks

Handling and storage

Caution required

Upstream product

• 25333-42-0 (R)-quinuclidin-3-ol 
• 1619-34-7 3-quinuclidinol 
• 134932-30-2 R-N-(Quinuclidinyl-3)-propionamide 
• 120570-06-1 N-((S)-1-phenylethyl)-3-quinuclidinimine 
• 1193-65-3 3-quinuclidinone hydrochloride 
• 3731-38-2 3-Quinuclidinone 
• 120577-33-5 (3R)-3-<(S)-(1-phenyl)ethylamino>-quinuclidine 
• 120570-09-4 (3R)-3-<(S)-(1-phenyl)ethylamino>-quinuclidine dihydrochloride 
• 134932-29-9 S-N-(quinuclidinyl-3)-propionamide 
• 827-61-2 3-acetoxyquinuclidine 
• 59653-40-6 (+)-Aceclidine 
• 120570-06-1 N-((R)-1-phenylethyl)-3-quinuclidinimine 
• 142999-60-8 (3S)-3-<(R)-(1-phenyl)ethylamino>-quinuclidine 
• 120570-09-4 (3S)-3-<(R)-(1-phenyl)ethylamino>-quinuclidine dihydrochloride 

Downstream Products

• 123464-89-1 PNU 282987 hydrochloride 
• 852633-81-9 (R)-3-(5-phenyl-imidazol-1-yl)-1-azabicyclo[2.2.2]octane 

Relevant articles and documents

Synthesis and 5-HT-3 receptor binding activity of 5-[125I]iodo-2,3-dimethoxy-N-(1-azabicyclo[2.2.2]oct-3-yl]benzamide and its 5-halogen-2-alkoxyl homologues

(S)-5-Iodo-2,3-dimethoxy-N-(1-azabicyclo[2.2.2]oct-3-yl)benzamide (MIZAC) was prepared from 5-iodo-2,3-dimethoxybenzoyl chloride and (S)-3-aminoquinuclidine. [125I]Iodode-stannylation of its corresponding 5-tri-n-butyltin derivative gave [125I]-MIZAC at 1800 Ci/mmol. Binding of [125I]-MIZAC in rat entorhinal cortex revealed a K(D) of 1.37 ± 0.21 nM. A series of racemic 2-O-alkyl derivatives of MIZAC were prepared and 5-HT-3 receptor affinities were determined by inhibition of [125I]-MIZAC binding. Optimal affinity for the receptor was obtained with small, electron-withdrawing substituents in the aromatic 5-position and with bulky substituents in the 3-position. [125I]-MIZAC is a selective radioligand useful for in vitro identification of the 5-HT-3 receptor.

Preparation of S-(-)- and R-(+)-N-(quinuclidinyl-3)-amide

Optical active forms of the carboxylic acid amines of 3-aminoquinuclidine of formula (I), and the preparation thereof. These can be hydrolysed to the optical active forms of 3-aminoquinuclidine.

Anxiolytic-R-n(1-azabicyclo[2.2.2]oct-3-yl) benzamides and thiobenzamides

Compounds of general formula I STR1 wherein: X represents oxygen or sulphur; each of R1 and R3 independently represents hydrogen or a C1 -C4 alkyl group; Ar represents: a phenyl ring optionally substituted by one, two or three C1 -C4 alkoxy groups and/or by one or two halogen atoms; a phenyl ring of the general formula STR2 wherein R2 represents halogen, 4,5-benzo, C1 -C8 alkoxy, C1 -C4 alkylcarbonyl or Am, wherein Am represents amino, methylamino or dimethylamino, R4 represents C1 -C8 alkyl, n is 1 or 2; or a pyrimidinyl moiety of the general formula STR3 wherein R5 is C1 -C4 alkyl; and their N-oxides and pharmaceutically acceptable salts are useful as anxiolytic agents. A preferred compound is R-(+)-4-amino-N-(1-azabicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxybenzamide.