Cyclohexanecarboxylic acid, 2-(((2-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)ethyl)amino)carbonyl)-

Base Information

• Chemical Name: Cyclohexanecarboxylic acid, 2-(((2-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)ethyl)amino)carbonyl)-
• CAS No.: 93799-07-6
• Molecular Formula: C₁₉H₃₁N₃O₄
• Molecular Weight: 365.473
• ChEMBL ID: CHEMBL279565
• DSSTox Substance ID: DTXSID80917925
• Mol file: 93799-07-6.mol

Synonyms:BRN 6002470;93799-07-6;Cyclohexanecarboxylic acid, 2-(((2-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)ethyl)amino)carbonyl)-;CHEMBL279565;DTXSID80917925;2-{Hydroxy[(2-{[hydroxy(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methylidene]amino}ethyl)imino]methyl}cyclohexane-1-carboxylic acid

Chemical Property of Cyclohexanecarboxylic acid, 2-(((2-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)ethyl)amino)carbonyl)-

Chemical Property:

• XLogP3: -1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 365.23145648
• Heavy Atom Count: 26
• Complexity: 610

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C=C(C(N1)(C)C)C(=O)NCCNC(=O)C2CCCCC2C(=O)O)C

Technology Process of Cyclohexanecarboxylic acid, 2-(((2-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)ethyl)amino)carbonyl)-

There total 2 articles about Cyclohexanecarboxylic acid, 2-(((2-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)ethyl)amino)carbonyl)- 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: 90.0%

2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid (2-amino-ethyl)-amide (93799-56-5) + 1,2-Cyclohexanedicarboxylic acid-anhydride (85-42-7) → 2-{2-[(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrole-3-carbonyl)-amino]-ethylcarbamoyl}-cyclohexanecarboxylic acid (93799-07-6)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 25 ℃; for 48h;

DOI:10.1021/jm00157a005

Reference yield:

3,5-Dibromo-4-oxo-2,2,6,6-tetramethylpiperidine Hydrobromide (19971-12-1) → 2-{2-[(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrole-3-carbonyl)-amino]-ethylcarbamoyl}-cyclohexanecarboxylic acid (93799-07-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / H₂O / 3 h / 25 °C

2: 90 percent / diethyl ether; tetrahydrofuran / 48 h / 25 °C

In tetrahydrofuran; diethyl ether; water;

DOI:10.1021/jm00157a005

upstream raw materials:

2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid (2-amino-ethyl)-amide

1,2-Cyclohexanedicarboxylic acid-anhydride

3,5-Dibromo-4-oxo-2,2,6,6-tetramethylpiperidine Hydrobromide