1-Piperidinecarboxylic acid, 4-[3,5-dimethyl-4-[[(4-nitro-1H-pyrrol-2-yl)carbonyl]amino]phenyl]-4-[3,5- dimethyl-4-[(pentafluorobenzoyl)amino]phenyl]-, phenylmethyl ester

Base Information

• Chemical Name: 1-Piperidinecarboxylic acid, 4-[3,5-dimethyl-4-[[(4-nitro-1H-pyrrol-2-yl)carbonyl]amino]phenyl]-4-[3,5- dimethyl-4-[(pentafluorobenzoyl)amino]phenyl]-, phenylmethyl ester
• CAS No.: 402912-86-1
• Molecular Formula: C41H36F5N5O6
• Molecular Weight: 789.759
• Mol file: 402912-86-1.mol

Synonyms:

Chemical Property of 1-Piperidinecarboxylic acid, 4-[3,5-dimethyl-4-[[(4-nitro-1H-pyrrol-2-yl)carbonyl]amino]phenyl]-4-[3,5- dimethyl-4-[(pentafluorobenzoyl)amino]phenyl]-, phenylmethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-Piperidinecarboxylic acid, 4-[3,5-dimethyl-4-[[(4-nitro-1H-pyrrol-2-yl)carbonyl]amino]phenyl]-4-[3,5- dimethyl-4-[(pentafluorobenzoyl)amino]phenyl]-, phenylmethyl ester

There total 8 articles about 1-Piperidinecarboxylic acid, 4-[3,5-dimethyl-4-[[(4-nitro-1H-pyrrol-2-yl)carbonyl]amino]phenyl]-4-[3,5- dimethyl-4-[(pentafluorobenzoyl)amino]phenyl]-, phenylmethyl ester 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: 60.0%

pentafluorobenzoylchloride (2251-50-5) + 4-nitropyrrole-2-carboxylic acid chloride (28494-49-7) + 4,4-bis(4-amino-3,5-dimethyl-phenyl)-piperidine-1-carboxylic acid benzyl ester (402912-77-0) → 4-{3,5-dimethyl-4-[(4-nitro-1H-pyrrole-2-carbonyl)-amino]-phenyl}-4-(3,5-dimethyl-4-pentafluorobenzoylamino-phenyl)-piperidine-1-carboxylic acid benzyl ester (402912-86-1) + 4,4-bis-(3,5-dimethyl-4-pentafluorobenzoylamino-phenyl)-piperidine-1-carboxylic acid benzyl ester

Guidance literature:

pentafluorobenzoylchloride; 4,4-bis(4-amino-3,5-dimethyl-phenyl)-piperidine-1-carboxylic acid benzyl ester; With triethylamine; In dichloromethane; for 16h;

4-nitropyrrole-2-carboxylic acid chloride; With pyridine; In dichloromethane; for 16h; Further stages.;

DOI:10.1002/1521-3765(20011119)7:22<4863::AID-CHEM4863>3.0.CO;2-3

Reference yield:

4-nitropyrrole-2-carboxylic acid (5930-93-8) → 4-{3,5-dimethyl-4-[(4-nitro-1H-pyrrole-2-carbonyl)-amino]-phenyl}-4-(3,5-dimethyl-4-pentafluorobenzoylamino-phenyl)-piperidine-1-carboxylic acid benzyl ester (402912-86-1)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl chloride / N,N-dimethylformamide / CH₂Cl₂

2: pyridine

With pyridine; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1039/b617576g

Reference yield:

1-acetyl-4-piperidinone (32161-06-1) → 4-{3,5-dimethyl-4-[(4-nitro-1H-pyrrole-2-carbonyl)-amino]-phenyl}-4-(3,5-dimethyl-4-pentafluorobenzoylamino-phenyl)-piperidine-1-carboxylic acid benzyl ester (402912-86-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 60 percent / aq. HCl / 96 h / Heating

2.1: 68 percent / NEt₃ / methanol / 16 h

3.1: NEt₃ / CH₂Cl₂ / 16 h

3.2: 60 percent / pyridine / CH₂Cl₂ / 16 h

With hydrogenchloride; triethylamine; In methanol; dichloromethane;

DOI:10.1002/1521-3765(20011119)7:22<4863::AID-CHEM4863>3.0.CO;2-3

upstream raw materials:

pentafluorobenzoylchloride

4-nitropyrrole-2-carboxylic acid chloride

4,4-bis(4-amino-3,5-dimethyl-phenyl)-piperidine-1-carboxylic acid benzyl ester

4-(4-amino-3,5-dimethyl-phenyl)-4-(3,5-dimethyl-4-pentafluorobenzoylamino-phenyl)-piperidine-1-carboxylic acid benzyl ester