3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(1H-imidazol-1-yl)phenyl)-, diethyl ester

Base Information

Chemical Name:3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(1H-imidazol-1-yl)phenyl)-, diethyl ester
CAS No.:131230-89-2
Molecular Formula:C22H25N3O4
Molecular Weight:395.4516
Hs Code.:
DSSTox Substance ID:DTXSID20156972
Nikkaji Number:J573.740K
ChEMBL ID:CHEMBL101233

Synonyms:131230-89-2;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(1H-imidazol-1-yl)phenyl)-, diethyl ester;Diethyl 1,4-dihydro-2,6-dimethyl-4-(3-(1H-imidazol-1-yl)phenyl)-3,5-pyridinecarboxylate;Diethyl 4-(3-(1H-imidazol-1-yl)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;D0XP0Q;SCHEMBL7269131;DTXSID20156972;LS-131243;153191-60-7

Suppliers and Price of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(1H-imidazol-1-yl)phenyl)-, diethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(1H-imidazol-1-yl)phenyl)-, diethyl ester

Chemical Property:

Vapor Pressure:1.63E-12mmHg at 25°C
Boiling Point:558.7°C at 760 mmHg
Flash Point:291.7°C
Density:1.21g/cm³
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:395.18450629
Heavy Atom Count:29
Complexity:660

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)N3C=CN=C3)C(=O)OCC)C)C

Technology Process of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(1H-imidazol-1-yl)phenyl)-, diethyl ester

There total 4 articles about 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(1H-imidazol-1-yl)phenyl)-, diethyl 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: 84.0%

: 141-97-9
ethyl acetoacetate

: 127404-22-2
3-(1H-imidazol-1-yl)-benzaldehyde

: 131230-89-2
1,4-dihydro-2,6-dimethyl-4-<3-(1H-imidazol-1-yl)phenyl>-3,5-pyridinecarboxylic acid diethyl ester

Guidance literature:: With ammonium hydroxide; In ethanol; for 6h; Heating;
DOI:10.1021/jm00072a017

Reference yield:

concentrated NH₄ OH: concentrated NH₄ OH

: 141-97-9
ethyl acetoacetate

: 127404-22-2
3-(1H-imidazol-1-yl)-benzaldehyde

: 131230-89-2
1,4-dihydro-2,6-dimethyl-4-<3-(1H-imidazol-1-yl)phenyl>-3,5-pyridinecarboxylic acid diethyl ester

Guidance literature:: In ice-water; ethanol;

Reference yield:

: 17789-14-9
3-(1,3-dioxolan-2-yl)-phenylbromide

: 131230-89-2
1,4-dihydro-2,6-dimethyl-4-<3-(1H-imidazol-1-yl)phenyl>-3,5-pyridinecarboxylic acid diethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaH, 2.) Cu / 1.) DMF, RT, 2.) DMF, 150 deg C, 4 h

2: 96 percent / 1 N aq. HCl / 2 h / Ambient temperature

3: 84 percent / 30percent aq. NH₄OH / ethanol / 6 h / Heating

With hydrogenchloride; ammonium hydroxide; copper; sodium hydride; In ethanol;
DOI:10.1021/jm00072a017