ZIN⁽⁰³⁸⁾C₀₀₅₉₄

Base Information

• Chemical Name: ZIN⁽⁰³⁸⁾C₀₀₅₉₄
• CAS No.: 1390623-34-3
• Molecular Formula: C₂₀H₂₀N₂O₂
• Molecular Weight: 320.391
• Mol file: 1390623-34-3.mol

Synonyms:ZIN⁽⁰³⁸⁾C₀₀₅₉₄

Chemical Property of ZIN⁽⁰³⁸⁾C₀₀₅₉₄

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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Technology Process of ZIN⁽⁰³⁸⁾C₀₀₅₉₄

There total 6 articles about ZIN⁽⁰³⁸⁾C₀₀₅₉₄ 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: 63.0%

pyrrolidine (123-75-1) + 2-benzyl-3-oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid (77960-29-3) → ZIN(038)C00594 (1390623-34-3)

Guidance literature:

2-benzyl-3-oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid; With pivaloyl chloride; triethylamine; In dichloromethane; at 0 ℃; for 1h;

pyrrolidine; With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jm3002839

Reference yield:

3-benzyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid (1212092-04-0) → ZIN(038)C00594 (1390623-34-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride / water / 3 h / Reflux

2.1: pivaloyl chloride; triethylamine / dichloromethane / 1 h / 0 °C

2.2: 0 - 20 °C

With hydrogenchloride; pivaloyl chloride; triethylamine; In dichloromethane; water;

DOI:10.1021/jm3002839

Reference yield:

N-benzyl(furan-2-ylmethyl)amine (4439-53-6) → ZIN(038)C00594 (1390623-34-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: toluene / 5 h / Reflux

2.1: hydrogenchloride / water / 3 h / Reflux

3.1: pivaloyl chloride; triethylamine / dichloromethane / 1 h / 0 °C

3.2: 0 - 20 °C

With hydrogenchloride; pivaloyl chloride; triethylamine; In dichloromethane; water; toluene; 1.1: Diels-Alder reaction;

DOI:10.1021/jm3002839

upstream raw materials:

pyrrolidine

2-benzyl-3-oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

3-benzyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid

N-benzyl-1-(furan-2-yl)methanimine

Refernces

• 1、 De Cesco, Stéphane,Deslandes, Sébastien,Therrien, Eric,Levan, David,Cueto, Micka?l,Schmidt, Ralf,Cantin, Louis-David,Mittermaier, Anthony,Juillerat-Jeanneret, Lucienne,Moitessier, Nicolas. "Virtual screening and computational optimization for the discovery of covalent prolyl oligopeptidase inhibitors with activity in human cells". experimental part. p. 6306 - 6315. Retrieved 2012/09/22.