3-Cyclohexene-1-carboxylic acid, 6-(((3-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)propyl)amino)carbonyl)-

Base Information

Chemical Name:3-Cyclohexene-1-carboxylic acid, 6-(((3-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)propyl)amino)carbonyl)-
CAS No.:93799-10-1
Molecular Formula:C20H31 N3 O4
Molecular Weight:377.484
Hs Code.:
ChEMBL ID:CHEMBL277606
DSSTox Substance ID:DTXSID00917922

Synonyms:93799-10-1;BRN 6006724;3-Cyclohexene-1-carboxylic acid, 6-(((3-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)propyl)amino)carbonyl)-;CHEMBL277606;DTXSID00917922;6-{Hydroxy[(3-{[hydroxy(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methylidene]amino}propyl)imino]methyl}cyclohex-3-ene-1-carboxylic acid

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Chemical Property of 3-Cyclohexene-1-carboxylic acid, 6-(((3-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)propyl)amino)carbonyl)-

Chemical Property:

XLogP3:-1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:377.23145648
Heavy Atom Count:27
Complexity:664

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)NCCCNC(=O)C2CC=CCC2C(=O)O)C

Technology Process of 3-Cyclohexene-1-carboxylic acid, 6-(((3-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)propyl)amino)carbonyl)-

There total 2 articles about 3-Cyclohexene-1-carboxylic acid, 6-(((3-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)propyl)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: 94.0%

: 93799-49-6
2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3-amino-propyl)-amide

: 85-43-8
1,2,3,6-Tetrahydrophthalic anhydride

: 93799-10-1
6-{3-[(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrole-3-carbonyl)-amino]-propylcarbamoyl}-cyclohex-3-enecarboxylic acid

Guidance literature:: In tetrahydrofuran; diethyl ether; at 25 ℃; for 48h;
DOI:10.1021/jm00157a005

Reference yield:

: 19971-12-1
3,5-Dibromo-4-oxo-2,2,6,6-tetramethylpiperidine Hydrobromide

: 93799-10-1
6-{3-[(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrole-3-carbonyl)-amino]-propylcarbamoyl}-cyclohex-3-enecarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / H₂O / 3 h / 25 °C

2: 94 percent / diethyl ether; tetrahydrofuran / 48 h / 25 °C

In tetrahydrofuran; diethyl ether; water;
DOI:10.1021/jm00157a005