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Tert-Butyl 1,5-diazocane-1-carboxylate is an organic chemical compound that belongs to the azocane family, which are saturated compounds containing azocane. It has a molecular formula of C12H22N2O2 and is also known by its systematic name of tert-butyl 3-oxa-6-azacycloheptane-1-carboxylate. tert-Butyl 1,5-diazocane-1-carboxylate is a type of carbamate ester and falls into the category of tertiary carboxylic acid esters, which are carbonyl compounds bearing an acyl group that is attached to a tertiary carbon atom. Like many other azocanes, tert-Butyl 1,5-diazocane-1-carboxylate likely possesses heterocyclic properties. However, details about its properties could not currently be found, suggesting it may not be widely researched or used.

223797-64-6

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223797-64-6 Usage

Uses

1. Used in Chemical Synthesis:
Tert-Butyl 1,5-diazocane-1-carboxylate is used as an intermediate in the synthesis of various organic compounds. Its unique structure and reactivity make it a valuable building block for creating complex molecules in the field of organic chemistry.
2. Used in Pharmaceutical Industry:
Tert-Butyl 1,5-diazocane-1-carboxylate is used as a potential candidate for drug development. Its heterocyclic properties and carbamate ester structure may offer new opportunities for the design of novel therapeutic agents with unique pharmacological profiles.
3. Used in Material Science:
Tert-Butyl 1,5-diazocane-1-carboxylate is used as a component in the development of new materials with specific properties. Its incorporation into polymers or other materials may lead to the creation of materials with improved characteristics, such as enhanced stability or novel functionalities.
4. Used in Research and Development:
Tert-Butyl 1,5-diazocane-1-carboxylate is used as a research compound for studying the properties and potential applications of azocanes and related compounds. Its synthesis and characterization can provide valuable insights into the chemistry and reactivity of this class of compounds, potentially leading to new discoveries and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 223797-64-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,3,7,9 and 7 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 223797-64:
(8*2)+(7*2)+(6*3)+(5*7)+(4*9)+(3*7)+(2*6)+(1*4)=156
156 % 10 = 6
So 223797-64-6 is a valid CAS Registry Number.
InChI:InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-8-4-6-12-7-5-9-13/h12H,4-9H2,1-3H3

223797-64-6SDS

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 1,5-DIAZOCANE-1-CARBOXYLATE

1.2 Other means of identification

Product number -
Other names [1,5]diazocane-1-carboxylic acid tert-butyl 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:223797-64-6 SDS

223797-64-6Relevant academic research and scientific papers

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.

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