Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate

Base Information

• Chemical Name: Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate
• CAS No.: 40034-52-4
• Molecular Formula: C21H24N2O4
• Molecular Weight: 368.433
• Hs Code.: 2933399090
• European Community (EC) Number: 254-766-8
• DSSTox Substance ID: DTXSID10193098
• Nikkaji Number: J261.507J
• ChEMBL ID: CHEMBL27272
• Mol file: 40034-52-4.mol

Synonyms:40034-52-4;EINECS 254-766-8;Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate;DIETHYL [[[3-(2,6-DIMETHYL-4-PYRIDYL)PHENYL]AMINO]METHYLENE]MALONATE;CHEMBL27272;SCHEMBL10732810;DTXSID10193098;Diethyl[[[3-(2,6-dimethyl-4-pyridyl)phenyl]amino]methylene]malonate;[[[3-(2,6-Dimethyl-4-pyridinyl)phenyl]amino]methylene]propanedioic acid diethyl ester;Propanedioic acid, (((3-(2,6-dimethyl-4-pyridinyl)phenyl)amino)methylene)-, diethyl ester

Chemical Property of Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate

Chemical Property:

• Vapor Pressure: 2.11E-08mmHg at 25°C
• Boiling Point: 453.2°C at 760 mmHg
• Flash Point: 227.9°C
• PSA: 77.52000
• Density: 1.166g/cm³
• LogP: 3.86040
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 368.17360725
• Heavy Atom Count: 27
• Complexity: 504

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(=CNC1=CC=CC(=C1)C2=CC(=NC(=C2)C)C)C(=O)OCC

Technology Process of Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate

There total 1 articles about Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate 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: 78.0%

4-(3-aminophenyl)-2,6-dimethylpyridine (40034-51-3) + diethyl 2-ethoxymethylenemalonate (87-13-8) → diethyl ({[3-(2,6-dimethyl-4-pyridyl)phenyl]amino}methylene)malonate (40034-52-4)

Guidance literature:

at 130 ℃; for 0.133333h;

DOI:10.1002/jhet.5570210655

Reference yield: 85.0%

diethyl ({[3-(2,6-dimethyl-4-pyridyl)phenyl]amino}methylene)malonate (40034-52-4) → 7-(2,6-dimethyl-pyridin-4-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester (40034-49-9)

Guidance literature:

In various solvent(s); for 0.2h; Heating; heating in Dowtherm;

DOI:10.1002/jhet.5570210655

Reference yield:

diethyl ({[3-(2,6-dimethyl-4-pyridyl)phenyl]amino}methylene)malonate (40034-52-4) → 7-(2,6-dimethyl-pyridin-4-yl)-1-ethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester (40034-74-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / various solvent(s) / 0.2 h / Heating; heating in Dowtherm

2: 65 percent / 1) potassium carbonate / dimethylformamide / 1) 60 deg C, 15 min; 2) stirring 1 h;

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1002/jhet.5570210655

upstream raw materials:

4-(3-aminophenyl)-2,6-dimethylpyridine

diethyl 2-ethoxymethylenemalonate

Downstream raw materials:

7-(2,6-dimethyl-pyridin-4-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

1-ethyl-1,4-dihydro-7-(2,6-dimethyl-4-pyridinyl)-4-oxo-3-quinolinecarboxylic acid

7-(2,6-dimethyl-pyridin-4-yl)-1-ethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester