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125736-21-2

9-Azabicyclo[4.2.1]non-2-ene-2-carboxaldehyde, (1R)- (9CI) is a complex organic compound with the chemical formula C9H13NO. It is a chiral molecule, meaning it has a non-superimposable mirror image, and the (1R)- configuration indicates the specific arrangement of atoms in the molecule. 9-Azabicyclo[4.2.1]non-2-ene-2-carboxaldehyde, (1R)- (9CI) is a derivative of 9-azabicyclo[4.2.1]non-2-ene, featuring a carboxaldehyde functional group, which consists of a carbonyl group (C=O) and a hydrogen atom attached to the same carbon. The presence of this functional group endows the molecule with reactivity, making it a potential intermediate in the synthesis of various pharmaceuticals and other organic compounds. The compound's unique structure and properties make it a subject of interest in organic chemistry and drug development.

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  • 125736-21-2 Structure

  • Basic information

    1. Product Name: 9-Azabicyclo[4.2.1]non-2-ene-2-carboxaldehyde, (1R)- (9CI)
    2. Synonyms: 9-Azabicyclo[4.2.1]non-2-ene-2-carboxaldehyde, (1R)- (9CI)
    3. CAS NO:125736-21-2
    4. Molecular Formula: C9H13NO
    5. Molecular Weight: 151.20562
    6. EINECS: N/A
    7. Product Categories: ALDEHYDE
    8. Mol File: 125736-21-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 274°Cat760mmHg
    3. Flash Point: 122.6°C
    4. Appearance: /
    5. Density: 1.123g/cm3
    6. Vapor Pressure: 0.00555mmHg at 25°C
    7. Refractive Index: 1.575
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 9.59±0.40(Predicted)
    11. CAS DataBase Reference: 9-Azabicyclo[4.2.1]non-2-ene-2-carboxaldehyde, (1R)- (9CI)(CAS DataBase Reference)
    12. NIST Chemistry Reference: 9-Azabicyclo[4.2.1]non-2-ene-2-carboxaldehyde, (1R)- (9CI)(125736-21-2)
    13. EPA Substance Registry System: 9-Azabicyclo[4.2.1]non-2-ene-2-carboxaldehyde, (1R)- (9CI)(125736-21-2)

  • 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: 125736-21-2(Hazardous Substances Data)

125736-21-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 125736-21-2 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, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 125736-21:
(8*1)+(7*2)+(6*5)+(5*7)+(4*3)+(3*6)+(2*2)+(1*1)=122
122 % 10 = 2
So 125736-21-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H13NO/c11-6-7-2-1-3-8-4-5-9(7)10-8/h2,6,8-10H,1,3-5H2/t8?,9-/m1/s1

125736-21-2SDS

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-azabicyclo[4.2.1]non-4-ene-5-carbaldehyde

1.2 Other means of identification

Product number -
Other names (1R)-anatoxinal

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:125736-21-2 SDS

125736-21-2Downstream Products

125736-21-2Relevant 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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