3,5-Dipropyl 1,4-dihydro-2,6-dimethyl-3,4,5-pyridinetricarboxylate

Base Information

• Chemical Name: 3,5-Dipropyl 1,4-dihydro-2,6-dimethyl-3,4,5-pyridinetricarboxylate
• CAS No.: 157490-63-6
• Molecular Formula: C₁₆H₂₃NO₆
• Molecular Weight: 325.362
• DSSTox Substance ID: DTXSID801166235
• Mol file: 157490-63-6.mol

Synonyms:DTXSID801166235;AKOS024357136;3,5-Dipropyl 1,4-dihydro-2,6-dimethyl-3,4,5-pyridinetricarboxylate;157490-63-6

Chemical Property of 3,5-Dipropyl 1,4-dihydro-2,6-dimethyl-3,4,5-pyridinetricarboxylate

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 325.15253745
• Heavy Atom Count: 23
• Complexity: 519

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCOC(=O)C1=C(NC(=C(C1C(=O)O)C(=O)OCCC)C)C

Technology Process of 3,5-Dipropyl 1,4-dihydro-2,6-dimethyl-3,4,5-pyridinetricarboxylate

There total 1 articles about 3,5-Dipropyl 1,4-dihydro-2,6-dimethyl-3,4,5-pyridinetricarboxylate 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: 12.6%

n-propyl acetoacetate (1779-60-8) + methyl (E)-3-aminocrotonate (14205-39-1) + Glyoxilic acid (298-12-4) → 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylic acid 3,5-dimethyl ester (157490-62-5) + 2,6-Dimethyl-1,4-dihydro-pyridine-3,4,5-tricarboxylic acid 3,5-dipropyl ester (157490-63-6) + 3-(methoxycarbonyl)-2,6-dimethyl-5-(propoxycarbonyl)-1,4-dihydro-4-pyridinecarboxylic acid (510755-86-9,510755-93-8,510755-97-2)

Guidance literature:

n-propyl acetoacetate; Glyoxilic acid; With morpholine; In ethanol; water; at 20 ℃; for 16h;

With acetic anhydride; for 0.5h;

methyl (E)-3-aminocrotonate; In ethyl acetate; for 16h; cooling;

DOI:10.1016/S0957-4166(02)00655-9

Reference yield: 71.0%

2,3,4,5,6-pentafluorophenol (771-61-9) + 2,6-Dimethyl-1,4-dihydro-pyridine-3,4,5-tricarboxylic acid 3,5-dipropyl ester (157490-63-6) → pentafluorophenyl 2,6-dimethyl-3,5-di-n-propoxycarbonyl-1,4-dihydroisonicotinate

Guidance literature:

With dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide;

DOI:10.1016/0223-5234(94)90103-1

upstream raw materials:

n-propyl acetoacetate

methyl (E)-3-aminocrotonate

Glyoxilic acid