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3,9-Diazabicyclo[4.2.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester, also known as Tert-butyl 3,9-diazabicyclo[4.2.1]nonane-3-carboxylate, is a chemical compound with a complex cyclic structure. It is characterized by its ability to form stable esters and its potential applications in various fields due to its unique chemical properties.

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  • 3,9-Diazabicyclo[4.2.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester

    Cas No: 286947-16-8

  • USD $ 1.9-2.9 / Gram

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  • 286947-16-8 Structure
  • Basic information

    1. Product Name: 3,9-Diazabicyclo[4.2.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester
    2. Synonyms: 3,9-Diazabicyclo[4.2.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester;3-Boc-3,9-diaza-bicyclo[4...;3-Boc-3,9-diaza-bicyclo[4.2.1]nonane;tert-butyl 3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
    3. CAS NO:286947-16-8
    4. Molecular Formula: C12H22N2O2
    5. Molecular Weight: 226
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 286947-16-8.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: 3,9-Diazabicyclo[4.2.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3,9-Diazabicyclo[4.2.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester(286947-16-8)
    11. EPA Substance Registry System: 3,9-Diazabicyclo[4.2.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester(286947-16-8)
  • 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: 286947-16-8(Hazardous Substances Data)

286947-16-8 Usage

Uses

Used in Pharmaceutical Industry:
3,9-Diazabicyclo[4.2.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester is used as a reactant for the preparation of N-substituted diazabicycloalkanes. These N-substituted diazabicycloalkanes serve as ligands for nicotinic acetylcholine receptors, which play a crucial role in the nervous system. 3,9-Diazabicyclo[4.2.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester is utilized in the development of drugs targeting these receptors, potentially leading to treatments for neurological disorders and conditions related to the nicotinic acetylcholine receptor dysfunction.
Used in Chemical Synthesis:
In the field of chemical synthesis, 3,9-Diazabicyclo[4.2.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester can be employed as an intermediate or building block for the synthesis of more complex molecules. Its unique structure and reactivity make it a valuable component in the creation of novel compounds with potential applications in various industries, including pharmaceuticals, materials science, and agrochemicals.
Used in Research and Development:
Due to its unique chemical properties and potential applications, 3,9-Diazabicyclo[4.2.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester is also used in research and development settings. Scientists and researchers can explore its properties and reactivity to develop new methods, techniques, or applications that could benefit various industries. 3,9-Diazabicyclo[4.2.1]nonane-3-carboxylic acid, 1,1-dimethylethyl ester's potential for innovation makes it an important tool in the ongoing pursuit of scientific knowledge and technological advancement.

Check Digit Verification of cas no

The CAS Registry Mumber 286947-16-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,8,6,9,4 and 7 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 286947-16:
(8*2)+(7*8)+(6*6)+(5*9)+(4*4)+(3*7)+(2*1)+(1*6)=198
198 % 10 = 8
So 286947-16-8 is a valid CAS Registry Number.

286947-16-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 4,9-diazabicyclo[4.2.1]nonane-4-carboxylate

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:286947-16-8 SDS

286947-16-8Downstream Products

286947-16-8Relevant articles and documents

AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS

-

, (2015/05/26)

Provided herein are compounds useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.

New ligands with affinity for the α4β2 subtype of nicotinic acetylcholine receptors. Synthesis, receptor binding, and 3D-QSAR modeling

Audouze, Karine,Nielsen, Elsebet ?stergaard,Olsen, Gunnar M.,Ahring, Philip,J?rgensen, Tino Dyhring,Peters, Dan,Liljefors, Tommy,Balle, Thomas

, p. 3159 - 3171 (2007/10/03)

A new series of piperazines, diazepanes, diazocanes, diazabicyclononanes, and diazabicyclodecanes with affinity for the α4β 2 subtype of nicotinic acetylcholine receptors were synthesized on the basis of results from a previous computational study. A predictive 3D-QSAR model was developed using the GRID/GOLPE approach (R2 = 0.94, Q 2 = 0.83, SDEP = 0.34). The SAR was interpreted in terms of contour maps of the PLS coefficients and in terms of a homology model of the α4β2 subtype of the nicotinic acetylcholine receptors. The results reveal that hydrogen bonding from both hydrogens on the protonated amine and from the pyridine nitrogen to a water molecule as well as van der Waals interactions between the substituent bearing the protonated amine and the receptor is of importance for ligand affinity. The combination of 3D-QSAR and homology modeling proved successful for the interpretation of structure-affinity relationships as well as the validation of the individual modeling approaches.

DIAZABICYCLONONANE AND -DECANE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS

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Page 14, (2010/02/06)

This invention relates to novel diazabicyclononane and -decane derivatives useful as opioid receptor ligands. More specifically, the invention provides compounds useful as μ opioid receptor ligands.

DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS

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Page/Page column 37, (2010/02/04)

Compounds of formula (I) or a pharmaceutically acceptable salt thereof wherein: V is selected from the group consisting of a covalent bond and CH2; W is selected from the group consisting of a covalent bond, CH2and CH2CH2; X is selected from the group consisting of a covalent bond and CH2; Y is selected from the group consisting of a covalent bond, CH2, and CH2CH2; Z is selected from the group consisting of CH2, CH2CH2, and CH2 CH2 CH2; L1is selected from the group consisting of a covalent bond and (CH2)n; n is 1-5; R1 is selected from the group consisting of (a), (b), (c), (d), (e), (f), (g), (h), (i), (j), (k), and (l); R2is selected from the group consisting of hydrogen, alkoxycarbonyl, alkyl, aminoalkyl, aminocarbonylalkyl, benzyloxycarbonyl, cyanoalkyl, dihydro-3-pyridinylcarbonyl, hydroxy, hydroxyalkyl, phenoxycarbonyl, and-NH2; are useful for controlling synaptic transmission in mammal.

Heteroaryl diazabicycloalkanes, their preparation and use

-

, (2008/06/13)

The present invention relates to novel heteroaryl diazabicycloalkane derivatives represented by general formula (I), any of its enantiomers or any mixture thereof, an N oxide thereof, a pharmaceutically acceptable salt thereof, in a labelled or un-labelled form, which are found to be cholinergic ligands at the nicotinic Acetyl Choline Receptors. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neurodegeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances.

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