3,5-Dicarbethoxy-2,6-dimethyl-4-ethyl-1,4-dihydropyridine

Base Information

• Chemical Name: 3,5-Dicarbethoxy-2,6-dimethyl-4-ethyl-1,4-dihydropyridine
• CAS No.: 1153-66-8
• Molecular Formula: C15H23 N O4
• Molecular Weight: 281.352
• Hs Code.: 2933399090
• European Community (EC) Number: 214-574-7
• UNII: ZR2P6EX7SX
• DSSTox Substance ID: DTXSID60151042
• Nikkaji Number: J203.409C
• ChEMBL ID: CHEMBL290591,CHEMBL1743353
• Mol file: 1153-66-8.mol

Synonyms:3,5-DDEP;3,5-dicarbethoxy-2,6-dimethyl-4-ethyl-1,4-dihydropyridine;3,5-diethoxycarbonyl-1,4-dihydro-2,6-dimethyl-4-ethylpyridine;3,5-diethoxycarbonyl-1,4-dihydro-4-ethyl-2,6-dimethylpyridine;3,5-diethoxycarbonyl-2,6-dimethyl-4-ethyl-1,4-dihydropyridine;3,5-diethoxycarbonyl-4-ethyl-1,4-dihydro-2,6-dimethylpyridine;4-ethyl-DDC;DDEP-3,5 cpd

Chemical Property of 3,5-Dicarbethoxy-2,6-dimethyl-4-ethyl-1,4-dihydropyridine

Chemical Property:

• Vapor Pressure: 8.2E-06mmHg at 25°C
• Melting Point: 106-109oC(lit.)
• Boiling Point: 374.7°Cat760mmHg
• Flash Point: 180.4°C
• PSA: 64.63000
• Density: 1.054g/cm³
• LogP: 2.61880
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 281.16270821
• Heavy Atom Count: 20
• Complexity: 423

Purity/Quality:

98%,99%, ^*data from raw suppliers

DIETHYL 4-ETHYL-1,4-DIHYDRO-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1C(=C(NC(=C1C(=O)OCC)C)C)C(=O)OCC

Technology Process of 3,5-Dicarbethoxy-2,6-dimethyl-4-ethyl-1,4-dihydropyridine

There total 7 articles about 3,5-Dicarbethoxy-2,6-dimethyl-4-ethyl-1,4-dihydropyridine 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: 94.0%

ethyl acetoacetate (141-97-9) + propionaldehyde (123-38-6) → 3,5-diethoxycarbonyl-2,6-dimethyl-4-ethyl-1,4-dihydropyridine (1153-66-8)

Guidance literature:

With formamidine acetic acid; Thiamine hydrochloride; at 80 ℃; for 0.5h; Neat (no solvent);

DOI:10.1080/00397911.2010.494814

Reference yield: 82.0%

ammonium acetate (631-61-8,92206-38-7) + ethyl acetoacetate (141-97-9) + propionaldehyde (123-38-6) → 3,5-diethoxycarbonyl-2,6-dimethyl-4-ethyl-1,4-dihydropyridine (1153-66-8)

Guidance literature:

With Silica-sulphonic acid-[BMIM][PF₆]; In neat (no solvent); at 60 ℃; for 0.333333h; Green chemistry;

DOI:10.1039/c4gc00923a

Reference yield: 78.0%

ammonium carbonate (506-87-6,6721-33-1,10361-29-2) + ethyl acetoacetate (141-97-9) + propionaldehyde (123-38-6) → 3,5-diethoxycarbonyl-2,6-dimethyl-4-ethyl-1,4-dihydropyridine (1153-66-8)

Guidance literature:

In water; at 80 ℃;

DOI:10.1016/j.ejmech.2015.03.018

upstream raw materials:

ethyl acetoacetate

propionaldehyde

1-(1-Chloro-propyl)-pyridinium; chloride

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

Downstream raw materials:

3-ethyl-2,4-dimethyl-1H-pyrrole

phenyl butyl ketone

(E)-1-(but-1-en-1-yl)-4-methoxybenzene

C₁₃H₁₇NO₄*HNO₂

Refernces

• 1、 Bai, Zibo,Zhang, Heng,Wang, Hao,Yu, Hanrui,Chen, Gong,He, Gang. "Enantioselective Alkylamination of Unactivated Alkenes under Copper Catalysis". supporting information. p. 1195 - 1202. Retrieved 2021/02/05.
• 2、 -. "Preparation method and application of novel ionic beta-naphthol aldehyde Schiff base zirconium complex". Paragraph 0041; 0056-0057. . Retrieved 2019/12/02.