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134052-62-3

(1R,2S,3S,5S)-3-(4-AMINO-PHENYL)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER is a complex organic compound characterized by a bicyclic octane ring fused with an azetidine ring. This chiral molecule features a carboxylic acid and a methyl ester functional group, along with an aminophenyl substituent, which may confer potential pharmaceutical or pharmacological relevance. Its specific properties, uses, and applications are not detailed, but the structural components suggest possible interactions with biological systems.

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  • 134052-62-3 Structure

  • Basic information

    1. Product Name: (1R,2S,3S,5S)-3-(4-AMINO-PHENYL)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER
    2. Synonyms: (1R,2S,3S,5S)-3-(4-AMINO-PHENYL)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER
    3. CAS NO:134052-62-3
    4. Molecular Formula: C16H22N2O2
    5. Molecular Weight: 274.35808
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 134052-62-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (1R,2S,3S,5S)-3-(4-AMINO-PHENYL)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
    10. NIST Chemistry Reference: (1R,2S,3S,5S)-3-(4-AMINO-PHENYL)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER(134052-62-3)
    11. EPA Substance Registry System: (1R,2S,3S,5S)-3-(4-AMINO-PHENYL)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER(134052-62-3)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 134052-62-3(Hazardous Substances Data)

134052-62-3 Usage

Uses

Given the lack of specific applications provided in the materials, the potential uses of (1R,2S,3S,5S)-3-(4-AMINO-PHENYL)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER can only be hypothesized based on its structural features:
Used in Pharmaceutical Industry:
(1R,2S,3S,5S)-3-(4-AMINO-PHENYL)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER could be used as a building block or intermediate in the synthesis of pharmaceuticals due to the presence of an aminophenyl group, which is common in many drug molecules. Its chiral centers may also be relevant for the development of enantiomerically pure drugs.
Used in Chemical Research:
As a complex molecule with potential stereoisomerism, it may be utilized in academic or industrial research to study the effects of stereochemistry on biological activity or to develop new synthetic methodologies.
Used in Drug Design:
(1R,2S,3S,5S)-3-(4-AMINO-PHENYL)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER's structural components, including the azetidine ring and the carboxylic acid group, could be leveraged in drug design to target specific biological receptors or enzymes, potentially leading to the development of new therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 134052-62-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,4,0,5 and 2 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 134052-62:
(8*1)+(7*3)+(6*4)+(5*0)+(4*5)+(3*2)+(2*6)+(1*2)=93
93 % 10 = 3
So 134052-62-3 is a valid CAS Registry Number.

134052-62-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-(4-aminophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

1.2 Other means of identification

Product number -
Other names (1R,2S,3S,5S)-3-(4-AMINO-PHENYL)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:134052-62-3 SDS

134052-62-3Relevant articles and documents

Synthesis, ligand binding, QSAR, and CoMFA study of 3β-(p-substituted phenyl)tropane-2β-carboxylic acid methyl esters

Carroll,Gao,Rahman,Abraham,Parham,Lewin,Boja,Kuhar

, p. 2719 - 2725 (2007/10/02)

A series of 3β-(p-substituted phenyl)tropane-2β-carboxylic acid methyl esters (2) were synthesized and found to possess high affinity for the cocaine binding site in rat striatum. The p-chloro (2c) and p-iodo (2n) compounds, which were the most potent analogues prepared, were found to be 85 and 78 times more potent than (-)-cocaine. The p-bromo (2m) and p-methyl (2d) were also 56 and 60 times more potent than cocaine. QSAR and CoMFA studies were conducted to correlate binding affinity of the cocaine analogues with their structural features. Whereas the QSAR study gave relatively low correlations, the CoMFA study gave a correlation with high predictive value.

Synthesis of 3-arylecgonine analogues as inhibitors of cocaine binding and dopamine uptake

Kline Jr.,Wright,Fox,Eldefrawi

, p. 2024 - 2027 (2007/10/02)

3-Arylecgonine analogues were synthesized and characterized by 1H and 13C NMR, IR, and MS. The compounds were synthesized as racemates from cycloheptatriene-7-carboxylic acid or enantiomerically from (-)-cocaine. These analogues were tested for their ability to inhibit [3H]cocaine binding to bovine striatal tissue and to inhibit [3H]dopamine uptake into striatal synaptosomes. Methyl (1RS-2-exo-3-exo)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate was the most potent analogue. IC50 values for inhibition of cocaine binding and dopamine uptake were 20 and 100 nM, respectively. The racemates and the 1R isomers were equally potent inhibitors of binding and uptake. Methyl (1RS-2-endo-3-exo)-3-(2,4-dinitrophenyl)-8-methyl-8- azabicyclo[3.2.1]octane-2-carboxylate was the least potent. IC50 for inhibition of both binding and uptake was 40 μM.

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