Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-7-methyl-4-oxo-3-phenyl-2-(2-propenylthio)-, ethyl ester

Base Information

• Chemical Name: Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-7-methyl-4-oxo-3-phenyl-2-(2-propenylthio)-, ethyl ester
• CAS No.: 126596-43-8
• Molecular Formula: C20H19 N3 O3 S
• Molecular Weight: 381.4482
• DSSTox Substance ID: DTXSID20155243
• Nikkaji Number: J523.447F
• Wikidata: Q83023095
• Mol file: 126596-43-8.mol

Synonyms:BRN 3568246;Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-7-methyl-4-oxo-3-phenyl-2-(2-propenylthio)-, ethyl ester;126596-43-8;DTXSID20155243;LS-134087;3,4-Dihydro-3-phenyl-7-methyl-4-oxo-2-allylthiopyrido[2,3-d]pyrimidine-5-carboxylic acid ethyl ester

Chemical Property of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-7-methyl-4-oxo-3-phenyl-2-(2-propenylthio)-, ethyl ester

Chemical Property:

• Vapor Pressure: 9.03E-13mmHg at 25°C
• Boiling Point: 564.6°Cat760mmHg
• Flash Point: 295.3°C
• Density: 1.26g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 381.11471265
• Heavy Atom Count: 27
• Complexity: 603

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C2C(=NC(=C1)C)N=C(N(C2=O)C3=CC=CC=C3)SCC=C

Technology Process of Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-7-methyl-4-oxo-3-phenyl-2-(2-propenylthio)-, ethyl ester

There total 4 articles about Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-7-methyl-4-oxo-3-phenyl-2-(2-propenylthio)-, ethyl 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: 50.0%

ethyl 7-methyl-3-phenyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrido<2,3-d>pyrimidine-5-carboxylate (126621-51-0) → 2-Allylsulfanyl-7-methyl-4-oxo-3-phenyl-3,4-dihydro-pyrido[2,3-d]pyrimidine-5-carboxylic acid ethyl ester (126596-43-8)

Guidance literature:

With sodium ethanolate; In ethanol; for 14h; Heating;

Reference yield:

6-Methyl-2-(3-phenyl-thioureido)-pyridine-3,4-dicarboxylic acid diethyl ester → 2-Allylsulfanyl-7-methyl-4-oxo-3-phenyl-3,4-dihydro-pyrido[2,3-d]pyrimidine-5-carboxylic acid ethyl ester (126596-43-8)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOC₂H₅ / ethanol; benzene / 2 h / Heating

2: 50 percent / 1) NaOC₂H₅ / ethanol / 14 h / Heating

With sodium ethanolate; In ethanol; benzene;

Reference yield:

phenyl isothiocyanate (103-72-0) → 2-Allylsulfanyl-7-methyl-4-oxo-3-phenyl-3,4-dihydro-pyrido[2,3-d]pyrimidine-5-carboxylic acid ethyl ester (126596-43-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 5 h / 100 °C

2: NaOC₂H₅ / ethanol; benzene / 2 h / Heating

3: 50 percent / 1) NaOC₂H₅ / ethanol / 14 h / Heating

With sodium ethanolate; In ethanol; benzene;

upstream raw materials:

ethyl 7-methyl-3-phenyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrido<2,3-d>pyrimidine-5-carboxylate

phenyl isothiocyanate

diethyl 2-amino-6-methylpyridine-3,4-dicarboxylate

Downstream raw materials:

7-methyl-3-phenyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrido<2,3-d>pyrimidine-5-carboxylic acid

Refernces