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

Base Information

• Chemical Name: N-[6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-ylidene]acetamide
• CAS No.: 185039-37-6
• Molecular Formula: C17H14Cl2N4OS
• Molecular Weight: 393.29026
• DSSTox Substance ID: DTXSID00442289
• Mol file: 185039-37-6.mol

Synonyms:185039-37-6;N-[6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-ylidene]acetamide;N-[6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-ylidene]acetamide;SCHEMBL5764657;SCHEMBL6688181;DTXSID00442289;AKOS030240614;FT-0666619;N-[6-(2,6-Dichlorophenyl)-8-methyl-2-(methylsulfanyl)pyrido[2,3-d]pyrimidin-7(8H)-ylidene]acetamide;N-[6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfanyl -8H-pyrido[2,3-d]pyrimidin-7-ylidene]-acetamide

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 558.981°C at 760 mmHg
• Flash Point: 291.861°C
• PSA: 85.44000
• Density: 1.438g/cm³
• LogP: 4.11120
• Solubility.: Chloroform, Dichloromethane, DMSO, Methanol
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 392.0265376
• Heavy Atom Count: 25
• Complexity: 575

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N=C1C(=CC2=CN=C(N=C2N1C)SC)C3=C(C=CC=C3Cl)Cl
• Uses: An intermediate in the preparation of antitumor agents and tyrosine kinase inhibitors

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

There total 4 articles about N-[6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-ylidene]acetamide 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: 88.0%

acetic anhydride (108-24-7) + 6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]-pyrimidin-7-ylideneamine (185039-29-6) → N-[6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-ylidene]-acetamide (185039-37-6)

Guidance literature:

for 0.0833333h; Heating;

DOI:10.1021/jm9802259

Reference yield:

(4-methylamino-2-methylsulfanyl-pyrimidin-5-yl)-methanol (17759-30-7) → N-[6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-ylidene]-acetamide (185039-37-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 93 percent / MnO₂ / CHCl₃ / 6 h / Ambient temperature

2: 46 percent / K₂CO₃ / dimethylformamide / 18 h / 100 - 105 °C

3: 88 percent / 0.08 h / Heating

With manganese(IV) oxide; potassium carbonate; In chloroform; N,N-dimethyl-formamide;

DOI:10.1021/jm9802259

Reference yield:

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester (5909-24-0) → N-[6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-ylidene]-acetamide (185039-37-6)

Guidance literature:

Multi-step reaction with 5 steps

1: 81 percent / Et₃N / tetrahydrofuran; H₂O / 0.5 h / 25 °C

2: 84 percent / LiAlH₄ / tetrahydrofuran / 0.17 h / Ambient temperature

3: 93 percent / MnO₂ / CHCl₃ / 6 h / Ambient temperature

4: 46 percent / K₂CO₃ / dimethylformamide / 18 h / 100 - 105 °C

5: 88 percent / 0.08 h / Heating

With manganese(IV) oxide; lithium aluminium tetrahydride; potassium carbonate; triethylamine; In tetrahydrofuran; chloroform; water; N,N-dimethyl-formamide;

DOI:10.1021/jm9802259

upstream raw materials:

acetic anhydride

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

(4-methylamino-2-methylsulfanyl-pyrimidin-5-yl)-methanol

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

Downstream raw materials:

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

PD-166285

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

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

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