SPIRO[1-AZABICYCLO[2.2.2]OCTANE-3,4'-IMIDAZOLIDIN]-2'-ONE HYDROCHLORIDE

Base Information

• Chemical Name: SPIRO[1-AZABICYCLO[2.2.2]OCTANE-3,4'-IMIDAZOLIDIN]-2'-ONE HYDROCHLORIDE
• CAS No.: 313643-41-3
• Molecular Formula: C₉H₁₅N₃O
• Molecular Weight: 181.238
• Mol file: 313643-41-3.mol

Synonyms:SPIRO[1-AZABICYCLO[2.2.2]OCTANE-3,4’-IMIDAZOLIDIN]-2’-ONE HYDROCHLORIDE

Chemical Property of SPIRO[1-AZABICYCLO[2.2.2]OCTANE-3,4'-IMIDAZOLIDIN]-2'-ONE HYDROCHLORIDE

Chemical Property:

• Boiling Point: 421.9±38.0 °C(Predicted)
• PKA: 14.10±0.20(Predicted)
• PSA: 47.86000
• Density: 1.28±0.1 g/cm3(Predicted)
• LogP: -0.32970

Purity/Quality:

99% ^*data from raw suppliers

SPIRO[1-AZABICYCLO[2.2.2]OCTANE-3,4'-IMIDAZOLIDIN]-2'-ONE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of SPIRO[1-AZABICYCLO[2.2.2]OCTANE-3,4'-IMIDAZOLIDIN]-2'-ONE HYDROCHLORIDE

There total 3 articles about SPIRO[1-AZABICYCLO[2.2.2]OCTANE-3,4'-IMIDAZOLIDIN]-2'-ONE HYDROCHLORIDE 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-hydroxy-1-azabicyclo[2.2.2]octane-3-carbonitrile (6238-30-8) → C9H15N3O (313643-41-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 76 percent / 7M methanolic NH₃ / 48 h / 50 °C

2: 80 percent / H₂; NH₃ / Raney Ni / methanol / 15 h / 2585.81 Torr

3: tetrahydrofuran / 2 h / Heating

With ammonia; hydrogen; nickel; In tetrahydrofuran; methanol; 1: Substitution / 2: Catalytic hydrogenation / 3: cyclocondensation;

DOI:10.1021/jm000249r

Reference yield:

3-amino-1-azabicyclo<2.2.2>octane-3-carbonitrile (123194-01-4) → C9H15N3O (313643-41-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / H₂; NH₃ / Raney Ni / methanol / 15 h / 2585.81 Torr

2: tetrahydrofuran / 2 h / Heating

With ammonia; hydrogen; nickel; In tetrahydrofuran; methanol; 1: Catalytic hydrogenation / 2: cyclocondensation;

DOI:10.1021/jm000249r

Reference yield:

1,1'-carbonyldiimidazole (530-62-1) + 3-aminomethyl-1-azabicyclo<2.2.2>octyl-3-amine (125889-79-4) → C9H15N3O (313643-41-3)

Guidance literature:

In tetrahydrofuran; for 2h; Heating;

DOI:10.1021/jm000249r

upstream raw materials:

1,1'-carbonyldiimidazole

3-aminomethyl-1-azabicyclo<2.2.2>octyl-3-amine

3-hydroxy-1-azabicyclo[2.2.2]octane-3-carbonitrile

3-amino-1-azabicyclo<2.2.2>octane-3-carbonitrile