AKOS 91597

Base Information

• Chemical Name: AKOS 91597
• CAS No.: 658-24-2
• Molecular Formula: C6H12N2
• Molecular Weight: 112.17300
• Hs Code.: 2933990090
• Mol file: 658-24-2.mol

Synonyms:2,5-DIAZA-BICYCLO[2.2.2]OCTANE;2,5-Diaza-bicyclo<2.2.2>octan;

Chemical Property of AKOS 91597

Chemical Property:

• Boiling Point: 196.3±8.0 °C(Predicted)
• PKA: 10.76±0.20(Predicted)
• PSA: 24.06000
• Density: 0.975±0.06 g/cm3(Predicted)
• LogP: 0.36780

Purity/Quality:

98%Min ^*data from raw suppliers

2,5-Diaza-bicyclo[2.2.2]octane 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of AKOS 91597

There total 5 articles about AKOS 91597 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:

2,5-diazabicyclo<2.2.2>octane-3,6-dione (1004-98-4) → 2,5-diazabicyclo[2.2.2]octane (658-24-2)

Guidance literature:

2,5-diazabicyclo<2.2.2>octane-3,6-dione; With lithium aluminium tetrahydride; In tetrahydrofuran; for 16h; Heating / reflux;

With sodium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield:

diethyl meso-2,5-dibromoadipate (54221-37-3) → 2,5-diazabicyclo[2.2.2]octane (658-24-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium azide

2.1: hydrogenchloride; hydrogen / palladium 10% on activated carbon / ethanol; water / 20 h / 750.08 Torr

3.1: methanol; sodium methylate

4.1: lithium aluminium tetrahydride / tetrahydrofuran / 16 h / Heating / reflux

4.2: 1 h / 20 °C

With hydrogenchloride; methanol; lithium aluminium tetrahydride; sodium azide; hydrogen; sodium methylate; palladium 10% on activated carbon; In tetrahydrofuran; ethanol; water;

Reference yield:

(2R,5S)-2,5-diazidohexanedioic acid diethyl ester (54221-38-4) → 2,5-diazabicyclo[2.2.2]octane (658-24-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrogenchloride; hydrogen / palladium 10% on activated carbon / ethanol; water / 20 h / 750.08 Torr

2.1: methanol; sodium methylate

3.1: lithium aluminium tetrahydride / tetrahydrofuran / 16 h / Heating / reflux

3.2: 1 h / 20 °C

With hydrogenchloride; methanol; lithium aluminium tetrahydride; hydrogen; sodium methylate; palladium 10% on activated carbon; In tetrahydrofuran; ethanol; water;

upstream raw materials:

2,5-diazabicyclo<2.2.2>octane-3,6-dione

diethyl meso-2,5-dibromoadipate

(2R,5S)-2,5-diazidohexanedioic acid diethyl ester

Downstream raw materials:

2-(3-pyridinyl)-2,5-diazabicyclo[2.2.2]octane

2-[(2,3,5-trifluorophenyl)methyl]-2,5-diazabicyclo[2.2.2]octane

Refernces

• 1、 -. "ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES". Page/Page column 195-196. . Retrieved 2008/12/08.
• 2、 -. "Diazabicyclooctanes and diazabicycloheptanes". . . Retrieved 2008/06/13.