3,8-Diazabicyclo[3.2.1]octane

Base Information

• Chemical Name: 3,8-Diazabicyclo[3.2.1]octane
• CAS No.: 280-06-8
• Molecular Formula: C6H12 N2
• Molecular Weight: 112.175
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40497950
• Mol file: 280-06-8.mol

Synonyms:3,8-Diazabicyclo[3.2.1]octane;280-06-8;3,8-DIAZA-BICYCLO[3.2.1]OCTANE;SCHEMBL56633;DTXSID40497950;LKDJYZBKCVSODK-UHFFFAOYSA-N;3, 8-diazabicyclo[3.2.1]octane;MFCD23131267;AKOS000282828;AKOS016843449;3,?8-?Diazabicyclo[3.2.1]?octane;SB36355;CS-0046685;F12443;EN300-2964906

Chemical Property of 3,8-Diazabicyclo[3.2.1]octane

Chemical Property:

• Boiling Point: 78-80 °C(Press: 40 Torr)
• PKA: 10.32±0.20(Predicted)
• PSA: 24.06000
• Density: 0.975±0.06 g/cm3(Predicted)
• LogP: 0.36780
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.100048391
• Heavy Atom Count: 8
• Complexity: 82.5

Purity/Quality:

97% ^*data from raw suppliers

3,8-Diaza-bicyclo[3.2.1]octane 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CNCC1N2

Technology Process of 3,8-Diazabicyclo[3.2.1]octane

There total 1 articles about 3,8-Diazabicyclo[3.2.1]octane 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:

→ 3,8-diazabicyclo[3.2.1.]octane (280-06-8)

Guidance literature:

3,8-Diaza-bicyclo<3.2.1>octan-2-on, LiAlH4, THF (anfangs bei 0grad, zuletzt bei 60grad);

Reference yield: 82.0%

4-chloromethyl-2-(4-methoxyphenyl)pyridine + 3,8-diazabicyclo[3.2.1.]octane (280-06-8) → C6H10N2(CH2C5H3NC6H4OCH3)2

Guidance literature:

With potassium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 80 - 120 ℃; for 1.16667h; microwave;

DOI:10.1016/j.ejmech.2006.11.013

Reference yield: 82.0%

4-chloromethyl-2-(4-chlorophenyl)pyridine (482376-16-9) + 3,8-diazabicyclo[3.2.1.]octane (280-06-8) → C6H10N2(CH2C5H3NC6H4Cl)2

Guidance literature:

With potassium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 80 - 120 ℃; for 1.16667h; microwave;

DOI:10.1016/j.ejmech.2006.11.013

Refernces