3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, diethyl ester

Base Information

• Chemical Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, diethyl ester
• CAS No.: 23118-56-1
• Molecular Formula: C17H21 N O5
• Molecular Weight: 319.35
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20177687
• Nikkaji Number: J51.301F
• ChEMBL ID: CHEMBL1876008,CHEMBL1094889
• Mol file: 23118-56-1.mol

Synonyms:23118-56-1;diethyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, diethyl ester;BRN 0288948;CHEMBL1094889;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-furyl)-, diethyl ester;Diethyl 2,6-dimethyl-4-(alpha-furyl)-1,4-dihydro-3,5-pyridinedicarboxylate;Isocinchomeronic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha-furyl)-, diethyl ester;0-27-00-00327 (Beilstein Handbook Reference);diethyl 4-(2-furyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;Oprea1_249517;Oprea1_603946;CBDivE_010653;MLS001012382;SCHEMBL3016354;CHEMBL1876008;DTXSID20177687;HMS2791D18;BDBM50073955;CCG-40751;STK387361;AKOS000650524;SB61607;NCGC00246360-01;SMR000426899;LS-131326;CS-0314188;EU-0066655;VU0118543-3;3-NAPHTHALEN-2-YL-3-OXO-PROPANENITRILE;A918606;SR-01000388280;SR-01000388280-1;SR-01000388280-2;F0862-0843;Diethyl 4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate;Diethyl 4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate #;Diethyl=4-(2-furyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate;3,5-Pyridinedicarboxylic acid, 4-(2-furanyl)-1,4-dihydro-2,6-dimethyl-, diethyl ester;4-Furan-2-yl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester;Diethyl 2,6-dimethyl-4-(.alpha.-furyl)-1,4-dihydro-3,5-pyridinedicarboxylate;diethyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylate;Isocinchomeronic acid, 1,4-dihydro-2,6-dimethyl-4-(.alpha.-furyl)-, diethyl ester;Pyridine-3,5-dicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, diethyl ester

Chemical Property of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, diethyl ester

Chemical Property:

• Vapor Pressure: 1.35E-07mmHg at 25°C
• Boiling Point: 429.9°Cat760mmHg
• Flash Point: 213.8°C
• PSA: 77.77000
• Density: 1.156g/cm³
• LogP: 2.96940
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 319.14197277
• Heavy Atom Count: 23
• Complexity: 509

Purity/Quality:

97% ^*data from raw suppliers

Diethyl4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C(=O)OCC)C)C

Technology Process of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, diethyl ester

There total 16 articles about 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, 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: 98.0%

furfural (98-01-1) + ethyl acetoacetate (141-97-9) → diethyl 2,6-dimethyl-4-(2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate (23118-56-1)

Guidance literature:

With ammonium acetate; In 2,2,2-trifluoroethanol; at 70 ℃; for 3h;

DOI:10.1016/j.jfluchem.2009.03.014

Reference yield: 95.0%

furfural (98-01-1) + ammonium acetate (631-61-8,92206-38-7) + ethyl acetoacetate (141-97-9) → diethyl 2,6-dimethyl-4-(2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate (23118-56-1)

Guidance literature:

With Silica-sulphonic acid-[BMIM][PF₆]; In neat (no solvent); at 60 ℃; for 0.166667h; Green chemistry;

DOI:10.1039/c4gc00923a

Reference yield: 93.0%

furfural (98-01-1) + 3-Oxo-butaneperoxoic acid ethyl ester → diethyl 2,6-dimethyl-4-(2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate (23118-56-1)

Guidance literature:

With ammonium acetate; In neat (no solvent); at 60 ℃; for 0.333333h;

DOI:10.1039/c3ta12476b

upstream raw materials:

furfural

ethyl acetoacetate

ethyl aminocrotonate

ethyl (E)-3-aminobut-2-enoate