1,5-Diazabicyclo(3.2.1)octane, 8-(4-pyridyl)-

Base Information

• Chemical Name: 1,5-Diazabicyclo(3.2.1)octane, 8-(4-pyridyl)-
• CAS No.: 13022-80-5
• Molecular Formula: C₁₁H₁₅N₃
• Molecular Weight: 189.26
• Hs Code.: 2933990090
• European Community (EC) Number: 654-503-0
• NSC Number: 82339
• DSSTox Substance ID: DTXSID20156417
• Nikkaji Number: J49.111J,J3.081.411H
• ChEMBL ID: CHEMBL1528915
• Mol file: 13022-80-5.mol

Synonyms:13022-80-5;NSC82339;8-pyridin-4-yl-1,5-diazabicyclo[3.2.1]octane;1,5-Diazabicyclo(3.2.1)octane, 8-(4-pyridyl)-;8-(4-pyridyl)-1,5-diazabicyclo[3.2.1]octane;MLS000737101;4-(1,5-Diazabicyclo(3.2.1)oct-8-yl)pyridine;4-(1,5-Diazabicyclo[3.2.1]oct-8-yl)pyridine;8-(4-Pyridinyl)-1,5-diazabicyclo[3.2.1]octane;NSC-82339;4-(1,5-DIAZABICYCLO(3.2.1)OCT-8-YL)-PYRIDINE;NSC 82339;BRN 0611005;NCIStruc1_000059;NCIStruc2_000047;1, 8-(4-pyridyl)-;5-26-02-00076 (Beilstein Handbook Reference);CHEMBL1528915;SCHEMBL11294576;DTXSID20156417;HMS2884A22;NCI82339;CCG-36323;NCGC00013864;AKOS024332369;NCGC00013864-02;NCGC00096974-01;WLN: T56 A BN ENTJ A- DT6NJ;NCI60_041811;SMR000528372;{4-(1,5-Diazabicyclo[3.2.1]oct-8-yl)pyridine};{1,5-Diazabicyclo[3.2.1]octane,} 8-(4-pyridyl)-

Chemical Property of 1,5-Diazabicyclo(3.2.1)octane, 8-(4-pyridyl)-

Chemical Property:

• Vapor Pressure: 0.0028mmHg at 25°C
• Boiling Point: 285.4°Cat760mmHg
• Flash Point: 126.4°C
• PSA: 19.37000
• Density: 1.19g/cm³
• LogP: 0.97730
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.126597491
• Heavy Atom Count: 14
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

4-(1,5-Diazabicyclo(3.2.1)oct-8-yl)-pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2CCN(C1)C2C3=CC=NC=C3

Technology Process of 1,5-Diazabicyclo(3.2.1)octane, 8-(4-pyridyl)-

There total 1 articles about 1,5-Diazabicyclo(3.2.1)octane, 8-(4-pyridyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,4-Diazacycloheptane (505-66-8) + pyridine-4-carbaldehyde (872-85-5) → (1R,5S,8R)-8-Pyridin-4-yl-1,5-diaza-bicyclo[3.2.1]octane (111159-71-8,13022-80-5)

Guidance literature:

In ethanol; Yield given; Heating;

DOI:10.1021/jo00237a036

upstream raw materials:

1,4-Diazacycloheptane

pyridine-4-carbaldehyde