Dimethyl 4-(4-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Base Information

• Chemical Name: Dimethyl 4-(4-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• CAS No.: 32927-12-1
• Molecular Formula: C₁₈H₁₈N₂O₄
• Molecular Weight: 326.352
• DSSTox Substance ID: DTXSID90364183
• Nikkaji Number: J509.701K
• ChEMBL ID: CHEMBL63425

Synonyms:Dimethyl 4-(4-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;32927-12-1;CHEMBL63425;SCHEMBL7162673;DTXSID90364183;AKOS003665930;1,4-Dihydro-2,6-dimethyl-4-(4-cyanophenyl)pyridine-3,5-dicarboxylic acid dimethyl ester

Chemical Property of Dimethyl 4-(4-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 326.12665706
• Heavy Atom Count: 24
• Complexity: 607

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)C#N)C(=O)OC

Technology Process of Dimethyl 4-(4-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

There total 3 articles about Dimethyl 4-(4-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-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: 96.0%

acetoacetic acid methyl ester (105-45-3) + 4-cyanobenzaldehyde (105-07-7) → dimethyl 2,6-dimethyl-4-(4-cyanophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (32927-12-1)

Guidance literature:

With 2C₂₂H₁₄N₂O₄^(2-)*3Mn⁽²⁺⁾*2C₅H₇O₂^(1-)*5H₂O; ammonium acetate; In neat (no solvent); at 65 ℃; for 0.416667h; Green chemistry;

DOI:10.1039/c9nj04977k

Reference yield:

methyl (E)-3-aminocrotonate (14205-39-1) + 4-cyanobenzaldehyde (105-07-7) → dimethyl 2,6-dimethyl-4-(4-cyanophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (32927-12-1)

Guidance literature:

With pyridine; thionyl chloride; Yield given. Multistep reaction; 1) CH₂Cl₂, 0 deg C to r.t., 2) 1 h;

Reference yield:

→ dimethyl 2,6-dimethyl-4-(4-cyanophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (32927-12-1)

Guidance literature:

4-Cyanbenzaldehyd, Acetessigsaeuremethylester, NH3, Δ;

upstream raw materials:

methyl (E)-3-aminocrotonate

4-cyanobenzaldehyde

acetoacetic acid methyl ester

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