6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one

Base Information

• Chemical Name: 6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
• CAS No.: 185039-46-7
• Molecular Formula: C15H11Cl2N3OS
• Molecular Weight: 352.244
• DSSTox Substance ID: DTXSID10444193
• Nikkaji Number: J2.304.588E
• Wikidata: Q82262251
• Mol file: 185039-46-7.mol

Synonyms:185039-46-7;6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one;6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;SCHEMBL5761991;DTXSID10444193;FT-0666617;2-(Methylthio)-6-(2,6-dichlorophenyl)-8-methyl-7,8-dihydropyrido[2,3-d]pyrimidine-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanyl-8H-pyrido-[2,3-d]pyrimidin-7-one;6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

Chemical Property of 6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 512.458°C at 760 mmHg
• Flash Point: 263.725°C
• PSA: 73.08000
• Density: 1.526g/cm³
• LogP: 4.02420
• Solubility.: Chloroform, Dichloromethane, DMSO, Methanol
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 350.9999885
• Heavy Atom Count: 22
• Complexity: 466

Purity/Quality:

99% ^*data from raw suppliers

6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)SC

Technology Process of 6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one

There total 10 articles about 6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one 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%

N-[6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-ylidene]-acetamide (185039-37-6) → 6-(2,6-dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one (185039-46-7)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1021/jm9802259

Reference yield: 87.0%

ethyl 2-(2,6-dichlorophenyl)acetate (90793-64-9) + 4-methylamino-2-methylthiopyrimidine-5-carboxaldehyde (185040-32-8) → 6-(2,6-dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one (185039-46-7)

Guidance literature:

With aluminum oxide; potassium fluoride; In N,N-dimethyl acetamide; at 20 ℃;

DOI:10.1016/j.tetlet.2006.02.155

Reference yield: 30.0%

methyl 2-(2,6-dichlorophenyl)acetate (54551-83-6) + 4-methylamino-2-methylthiopyrimidine-5-carboxaldehyde (185040-32-8) → 6-(2,6-dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one (185039-46-7)

Guidance literature:

With potassium fluoride on basic alumina; In N,N-dimethyl acetamide; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.ejmech.2021.113252

upstream raw materials:

N-[6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-ylidene]-acetamide

2,6-dichlorophenylacetonitrile

4-methylamino-2-methylthiopyrimidine-5-carboxaldehyde

ethyl 2-(2,6-dichlorophenyl)acetate

Downstream raw materials:

PD-166285

6-(2,6-dichlorophenyl)-2-hydroxy-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

SKI DV₂ 47

6-(2,6-Dichlorophenyl)-2-(4-methoxyphenylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

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