Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate

Base Information

• Chemical Name: Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
• CAS No.: 94266-06-5
• Molecular Formula: C17H27 N O4
• Molecular Weight: 309.406
• Hs Code.: 2933399090
• European Community (EC) Number: 304-412-4
• DSSTox Substance ID: DTXSID20241317
• Nikkaji Number: J382.701A
• ChEMBL ID: CHEMBL2281645
• Mol file: 94266-06-5.mol

Synonyms:94266-06-5;Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate;CHEMBL2281645;EINECS 304-412-4;DTXSID20241317;BDBM50073951;AKOS024350851;2,6-Dimethyl-4-butyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester

Chemical Property of Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate

Chemical Property:

• Vapor Pressure: 1.04E-06mmHg at 25°C
• Boiling Point: 403.2°Cat760mmHg
• Flash Point: 197.7°C
• PSA: 64.63000
• Density: 1.031g/cm³
• LogP: 3.39900
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 309.19400834
• Heavy Atom Count: 22
• Complexity: 451

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1C(=C(NC(=C1C(=O)OCC)C)C)C(=O)OCC

Technology Process of Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate

There total 4 articles about Diethyl 4-butyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate 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: 85.0%

pentanal (110-62-3) + ammonium carbonate (506-87-6,6721-33-1,10361-29-2) + ethyl acetoacetate (141-97-9) → diethyl 4-butyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (94266-06-5)

Guidance literature:

In water; at 80 ℃;

DOI:10.1016/j.ejmech.2015.03.018

Reference yield: 72.0%

pentanal (110-62-3) + ethyl acetoacetate (141-97-9) → diethyl 4-butyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (94266-06-5)

Guidance literature:

With ammonium acetate; In N,N-dimethyl-formamide; for 0.0166667h; Microwave irradiation;

DOI:10.1007/s00044-012-9994-0

Reference yield:

ammonium acetate (631-61-8,92206-38-7) + ethyl acetoacetate (141-97-9) + butyraldehyde (123-72-8) → diethyl 4-butyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (94266-06-5)

Guidance literature:

With potassium tert-butylate; Microwave irradiation;

upstream raw materials:

pentanal

ethyl acetoacetate

ammonium carbonate

ammonium acetate

Downstream raw materials:

2-oxo-N-phenylhexanamide