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Tert-butyl 2-(1-[tert-butyl(dimethyl)silyl]oxyethenyl)-9-azabicyclo[4.2.1]nonane-9-carboxylate is a complex organic compound characterized by the presence of a tert-butyl group, a silyl group, and a bicyclo[4.2.1]nonane ring. It is derived from 9-azabicyclo[4.2.1]nonane-9-carboxylic acid and is widely recognized for its stability and reactivity, which are attributed to the tert-butyl and silyl groups. tert-butyl 2-(1-[tert-butyl(dimethyl)silyl]oxyethenyl)-9-azabicyclo[4.2.1]nonane-9-carboxylate is frequently utilized in organic synthesis and medicinal chemistry, serving as a valuable building block for the creation of more complex molecules.

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  • 125736-01-8 Structure
  • Basic information

    1. Product Name: tert-butyl 2-(1-{[tert-butyl(dimethyl)silyl]oxy}ethenyl)-9-azabicyclo[4.2.1]nonane-9-carboxylate
    2. Synonyms:
    3. CAS NO:125736-01-8
    4. Molecular Formula: C21H39NO3Si
    5. Molecular Weight: 381.6248
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 125736-01-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 413.8°C at 760 mmHg
    3. Flash Point: 204.1°C
    4. Appearance: N/A
    5. Density: 0.98g/cm3
    6. Vapor Pressure: 4.65E-07mmHg at 25°C
    7. Refractive Index: 1.478
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: tert-butyl 2-(1-{[tert-butyl(dimethyl)silyl]oxy}ethenyl)-9-azabicyclo[4.2.1]nonane-9-carboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: tert-butyl 2-(1-{[tert-butyl(dimethyl)silyl]oxy}ethenyl)-9-azabicyclo[4.2.1]nonane-9-carboxylate(125736-01-8)
    12. EPA Substance Registry System: tert-butyl 2-(1-{[tert-butyl(dimethyl)silyl]oxy}ethenyl)-9-azabicyclo[4.2.1]nonane-9-carboxylate(125736-01-8)
  • 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: 125736-01-8(Hazardous Substances Data)

125736-01-8 Usage

Uses

Used in Organic Synthesis:
Tert-butyl 2-(1-[tert-butyl(dimethyl)silyl]oxyethenyl)-9-azabicyclo[4.2.1]nonane-9-carboxylate is employed as a key intermediate in organic synthesis, particularly for the preparation of complex organic molecules. Its unique structure and reactivity make it a versatile component in the synthesis of various compounds.
Used in Pharmaceutical Drug Development:
In the pharmaceutical industry, tert-butyl 2-(1-[tert-butyl(dimethyl)silyl]oxyethenyl)-9-azabicyclo[4.2.1]nonane-9-carboxylate is used as a potential precursor in the development of new drugs. Its structural features and chemical properties allow for the exploration of its potential therapeutic applications, making it a promising candidate for further research and development.
Used in Medicinal Chemistry:
Tert-butyl 2-(1-[tert-butyl(dimethyl)silyl]oxyethenyl)-9-azabicyclo[4.2.1]nonane-9-carboxylate is utilized as a building block in medicinal chemistry for the synthesis of bioactive molecules. Its presence in the molecular structure can influence the pharmacological properties of the final product, offering a wide range of possibilities for the design of new therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 125736-01-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,5,7,3 and 6 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 125736-01:
(8*1)+(7*2)+(6*5)+(5*7)+(4*3)+(3*6)+(2*0)+(1*1)=118
118 % 10 = 8
So 125736-01-8 is a valid CAS Registry Number.

125736-01-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (1R,2R,6R)-2-[1-(tert-Butyl-dimethyl-silanyloxy)-vinyl]-9-aza-bicyclo[4.2.1]nonane-9-carboxylic acid tert-butyl ester

1.2 Other means of identification

Product number -
Other names -

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:125736-01-8 SDS

125736-01-8Relevant articles and documents

Chirospecific Syntheses of Nitrogen and Side-Chain Modified Anatoxin Analogues. Synthesis of (1R)-Anatoxinal and (1R)-Anatoxinic Acid Derivatives

Howard, Michael H.,Sardina, F. Javier,Rapoport, Henry

, p. 2829 - 2838 (2007/10/02)

A straightforward and good yielding route to side-chain analogues of the potent neurotoxin and neurotransmitter (+)-anatoxin (1) has been developed.Peroxy acid oxidation of the (silyloxy)butadiene 43 derived from readily synthesized, optically pure (1R)-t-BOC-anatoxin (42) affords silyloxy ketone 44.Fluorolysis of 44 followed by oxidative cleavage of the resultant α-hydroxy ketone 45 gives a mixture of α,β-unsaturated acid 46 and ester 41 in 57percent combined yield.Other approaches to these compounds, based on literature precedent, failed. (1R)-t-BOC-anatoxinic acid (46) then serves as educt for the synthesis of a wide variety of anatoxin derivatives with modified side-chain functionality.These analogues, designed to serve as probes of the antagonist binding site of the nicotinic acetylcholine receptor, include alcohol, aldehyde, amide, hydroxamate, and oxime ether functional groups.

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