3-Chloro-2-phenyl-4h-pyrido[1,2-a]pyrimidin-4-one

Base Information

• Chemical Name: 3-Chloro-2-phenyl-4h-pyrido[1,2-a]pyrimidin-4-one
• CAS No.: 59046-00-3
• Molecular Formula: C14H9ClN2O
• Molecular Weight: 256.6871
• NSC Number: 156829
• DSSTox Substance ID: DTXSID50303119
• Wikidata: Q82048253

Synonyms:3-chloro-2-phenyl-4h-pyrido[1,2-a]pyrimidin-4-one;59046-00-3;NSC156829;DTXSID50303119;NSC-156829

Chemical Property of 3-Chloro-2-phenyl-4h-pyrido[1,2-a]pyrimidin-4-one

Chemical Property:

• Vapor Pressure: 1.33E-06mmHg at 25°C
• Boiling Point: 399.8°Cat760mmHg
• Flash Point: 195.6°C
• Density: 1.31g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 256.0403406
• Heavy Atom Count: 18
• Complexity: 496

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)N3C=CC=CC3=N2)Cl

Technology Process of 3-Chloro-2-phenyl-4h-pyrido[1,2-a]pyrimidin-4-one

There total 4 articles about 3-Chloro-2-phenyl-4h-pyrido[1,2-a]pyrimidin-4-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: 34.0%

N-benzylidenepyridin-2-amine (1883-96-1,82299-15-8,88785-73-3) + chloroform (67-66-3,8013-54-5) → 3-chloro-2-phenylpyrido<1,2-a>pyrimidin-4(4H)-one (59046-00-3) + 2-phenyl-3-chloroimidazo<1,2-a>pyridine (64413-91-8)

Guidance literature:

With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; at 20 ℃;

DOI:10.1007/BF00472515

Reference yield: 10.0%

N-benzylidenepyridin-2-amine (1883-96-1,82299-15-8,88785-73-3) + dichloroacethyl chloride (79-36-7) → 3-chloro-2-phenylpyrido<1,2-a>pyrimidin-4(4H)-one (59046-00-3) + 3,3-dichloro-4-phenyl-1-(2-pyridyl)-2-azetidinone (91538-37-3) + 2,2-dichloro-3-phenyl-3-(2-pyridylamino)propanoic acid (91538-35-1)

Guidance literature:

With triethylamine; In 1,2-dimethoxyethane; for 1h; Product distribution; Ambient temperature; other solvent;

Reference yield: 5.0%

methanol (67-56-1) + N-benzylidenepyridin-2-amine (1883-96-1,82299-15-8,88785-73-3) + dichloroacethyl chloride (79-36-7) → 3-chloro-2-phenylpyrido<1,2-a>pyrimidin-4(4H)-one (59046-00-3) + 3,3-dichloro-4-phenyl-1-(2-pyridyl)-2-azetidinone (91538-37-3) + methyl 2,2-dichloro-3-phenyl-3-(2-pyridylamino)propanoate (91538-38-4)

Guidance literature:

With triethylamine; In diethyl ether; Product distribution; 1.) -15 deg C to room temperature; 2.) overnight;

upstream raw materials:

methanol

N-benzylidenepyridin-2-amine

dichloroacethyl chloride

chloroform

Downstream raw materials:

2-phenylimidazo[1,2-a]pyridine

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