8-Methyl-2-(methylsulfonyl)-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-one

Base Information

• Chemical Name: 8-Methyl-2-(methylsulfonyl)-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-one
• CAS No.: 214983-04-7
• Molecular Formula: C15H13 N3 O3 S
• Molecular Weight: 315.353
• DSSTox Substance ID: DTXSID60444168
• Wikidata: Q82262210
• Mol file: 214983-04-7.mol

Synonyms:214983-04-7;8-Methyl-2-(methylsulfonyl)-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-one;SCHEMBL20563978;DTXSID60444168;2-(Methanesulfonyl)-8-methyl-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-one

Chemical Property of 8-Methyl-2-(methylsulfonyl)-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-one

Chemical Property:

• PSA: 90.30000
• LogP: 2.47980
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 315.06776246
• Heavy Atom Count: 22
• Complexity: 575

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=NC(=NC=C2C=C(C1=O)C3=CC=CC=C3)S(=O)(=O)C

Technology Process of 8-Methyl-2-(methylsulfonyl)-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-one

There total 9 articles about 8-Methyl-2-(methylsulfonyl)-6-phenylpyrido[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: 65.0%

8-methyl-2-(methylthio)-6-phenylpyrido[2,3-d]pyrimidin-7-(8H)-one (214983-02-5) → 8-methyl-2-(methylsulfonyl)-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-one (214983-04-7)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 20 ℃; for 6h;

DOI:10.1016/j.bmc.2010.07.021

Reference yield: 54.0%

→ 8-methyl-2-(methylsulfonyl)-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-one (214983-04-7)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 3h; Inert atmosphere;

Reference yield:

8-methyl-2-(methylthio)-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-imine (214983-00-3) → 8-methyl-2-(methylsulfonyl)-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-one (214983-04-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 84 percent / diethyl ether / 0.5 h / Heating

2: 87 percent / conc. HCl / 0.08 h / Heating

3: 60 percent / m-chloroperbenzoic acid / CHCl₃ / 2 h / Ambient temperature

With hydrogenchloride; 3-chloro-benzenecarboperoxoic acid; In diethyl ether; chloroform;

DOI:10.1021/jm980398y

upstream raw materials:

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

phenylacetonitrile

8-methyl-2-(methylthio)-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-imine

N-[8-Methyl-2-methylsulfanyl-6-phenyl-8H-pyrido[2,3-d]pyrimidin-(7Z)-ylidene]-acetamide

Downstream raw materials:

2-(3-aminobenzylamino)-8-methyl-6-phenylpyrido[2,3-d]-pyrimidin-7(8H)-one