4-(3-Chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2(1H)-one

Base Information

• Chemical Name: 4-(3-Chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2(1H)-one
• CAS No.: 191219-80-4
• Molecular Formula: C17H16 Cl N3 O
• Molecular Weight: 313.787
• UNII: 7GQT2M8W42
• DSSTox Substance ID: DTXSID70424991
• Nikkaji Number: J1.425.157J
• Wikipedia: YM-976
• Wikidata: Q15634080
• Pharos Ligand ID: LC2NQVM3DACS
• ChEMBL ID: CHEMBL1358525
• Mol file: 191219-80-4.mol

Synonyms:4-(3-chlorophenyl)-1,7-diethylpyrido(2,3-d)pyrimidin-2(1H)-one;YM 976;YM-976;YM976

Chemical Property of 4-(3-Chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2(1H)-one

Chemical Property:

• Vapor Pressure: 1.42E-09mmHg at 25°C
• Melting Point: 132.7-134.0 °C(lit.)
• Refractive Index: 1.638
• Boiling Point: 485.4°Cat760mmHg
• PKA: 2.11±0.20(Predicted)
• Flash Point: 247.4°C
• PSA: 47.78000
• Density: 1.27g/cm³
• LogP: 3.69420
• Storage Temp.: 2-8°C
• Solubility.: DMSO: 16 mg/mL
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 313.0981898
• Heavy Atom Count: 22
• Complexity: 453

Purity/Quality:

97% ^*data from raw suppliers

YM 976 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC2=C(C=C1)C(=NC(=O)N2CC)C3=CC(=CC=C3)Cl
• Uses: YM 976 is an inhibitor of PDE4.

Technology Process of 4-(3-Chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2(1H)-one

There total 1 articles about 4-(3-Chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2(1H)-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: 60.0%

→ 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2(1H)-one (191219-80-4) + 2-Ethylamino-6-methyl-3-(1-naphthylcarbonyl)pyridine (191220-83-4)

Guidance literature:

Reference yield: 61.0%

4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2(1H)-one (191219-80-4) + azobisisobutyronitrile (34241-39-9) → 7-(1-bromoethyl)-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2(1H)-one + 4-(3-chlorophenyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidin-2(1H)-one

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane;

Reference yield: 47.0%

4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2(1H)-one (191219-80-4) + azobisisobutyronitrile (34241-39-9) → 7-(1-acetoxyethyl)-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2(1H)-one

Guidance literature:

With N-Bromosuccinimide; sodium acetate; In methanol; tetrachloromethane; water;

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