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CAS

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125736-14-3

(1R)-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]non-2-ene-2-carboxylic acid is a chemical compound with the molecular formula C14H21NO4. It is a derivative of the naturally occurring compound 9-azabicyclo[4.2.1]nonane-2-carboxylic acid, which has potential pharmacological properties. This specific derivative contains a carbonyl group protected by a tert-butoxycarbonyl (Boc) group, which is commonly used in organic synthesis to protect amine functionalities. (1R)-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]non-2-ene-2-carboxylic acid's structural features suggest that it could potentially be used in the development of pharmaceuticals or as a building block for the synthesis of other biologically active compounds.

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  • 125736-14-3 Structure

  • Basic information

    1. Product Name: (1R)-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]non-2-ene-2-carboxylic acid
    2. Synonyms:
    3. CAS NO:125736-14-3
    4. Molecular Formula: C14H21NO4
    5. Molecular Weight: 267.3208
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 125736-14-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 404.2°C at 760 mmHg
    3. Flash Point: 198.3°C
    4. Appearance: N/A
    5. Density: 1.201g/cm3
    6. Vapor Pressure: 1.15E-07mmHg at 25°C
    7. Refractive Index: 1.532
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (1R)-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]non-2-ene-2-carboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: (1R)-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]non-2-ene-2-carboxylic acid(125736-14-3)
    12. EPA Substance Registry System: (1R)-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]non-2-ene-2-carboxylic acid(125736-14-3)

  • 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: 125736-14-3(Hazardous Substances Data)

125736-14-3 Usage

Uses

Used in Pharmaceutical Development:
(1R)-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]non-2-ene-2-carboxylic acid is used as a building block for the development of pharmaceuticals due to its potential pharmacological properties and the presence of a Boc-protected carbonyl group, which allows for further chemical modifications and synthesis of biologically active compounds.
Used in Organic Synthesis:
(1R)-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]non-2-ene-2-carboxylic acid is used as a protected amine intermediate in organic synthesis, where the Boc group can be selectively removed to reveal the free amine functionality, enabling further reactions and the synthesis of more complex molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 125736-14-3 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, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 125736-14:
(8*1)+(7*2)+(6*5)+(5*7)+(4*3)+(3*6)+(2*1)+(1*4)=123
123 % 10 = 3
So 125736-14-3 is a valid CAS Registry Number.

125736-14-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (6R)-9-[(2-methylpropan-2-yl)oxycarbonyl]-9-azabicyclo[4.2.1]non-4-ene-5-carboxylic acid

1.2 Other means of identification

Product number -
Other names (1R)-9-(tert-butoxycarbonyl)-2-carboxy-9-azabicyclo<4.2.1>non-2-ene

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:125736-14-3 SDS

125736-14-3Relevant articles and documents

Synthesis of a (+)-anatoxin-a analogue for monoclonal antibodies production

Marc, Mickael,Outurquin, Francis,Renard, Pierre-Yves,Créminon, Christophe,Franck, Xavier

scheme or table, p. 4554 - 4557 (2009/12/03)

Anatoxin-a analogue was prepared by resolution of aminoacid 1 using chiral (R)-4-phenyl-oxazolidin-2-thione as derivatizing agent. X-ray diffraction of a diastereomer allowed us to determine its absolute configuration. The synthesis could then be complete

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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