C₂₀H₂₂ClN₃O

Base Information

• Chemical Name: C₂₀H₂₂ClN₃O
• CAS No.: 639486-73-0
• Molecular Formula: C₂₀H₂₂ClN₃O
• Molecular Weight: 355.867
• Mol file: 639486-73-0.mol

Synonyms:

Chemical Property of C₂₀H₂₂ClN₃O

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₂₀H₂₂ClN₃O

There total 7 articles about C₂₀H₂₂ClN₃O 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:

(2S,3R)-3-amino-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]-octane (1111942-06-3) + ortho-chlorobenzoic acid (118-91-2) → C20H22ClN3O (639486-73-0)

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/jm301048a

Reference yield:

3-amino-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane (1391013-37-8) → C20H22ClN3O (639486-73-0)

Guidance literature:

Multi-step reaction with 2 steps

1: (2S,3S)-di-4-toluoyltartaric acid / methanol

2: N-ethyl-N,N-diisopropylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / dichloromethane / 20 °C

With (2S,3S)-di-4-toluoyltartaric acid; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In methanol; dichloromethane;

DOI:10.1021/jm301048a

Reference yield:

(2S)-2-(pyridin-3-ylmethyl)-1-azabicyclo-[2.2.2]octan-3-one Di-p-toluoyl-D-tartrate (1111942-08-5) → C20H22ClN3O (639486-73-0)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium hydrogencarbonate / water; dichloromethane

2.1: titanium(IV) isopropylate / tetrahydrofuran / 13 h / Inert atmosphere

2.2: -5 - 15 °C / Inert atmosphere

3.1: hydrogenchloride / water / 5 - 25 °C / Inert atmosphere

3.2: 12 h / Inert atmosphere; Reflux

4.1: N-ethyl-N,N-diisopropylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / dichloromethane / 20 °C

With titanium(IV) isopropylate; hydrogenchloride; sodium hydrogencarbonate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane; water;

DOI:10.1021/jm301048a

upstream raw materials:

3-amino-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane

(2S,3R)-3-amino-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]-octane

ortho-chlorobenzoic acid

2-(pyridin-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one