41078-70-0

Basic information

• Product Name: 3-(2-Chloroethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one
• Synonyms: 3-(2-CHLOROETHYL)-2-METHYL-4H-PYRIDO-[1,2-A]PYRIMIDIN-4-ONE;3-(2-CHLOROETHYL)-2-METHYL-4H-PYRIDO[1,2-A] PYRIMNIDIN-4-ONE;3-(2-CHLOORETHYL)-2-METHYL-4H-PYRIDO[1,2-A]PYRIMIDINE-4-ON;3-(2-CHLOROETHYL)-2-METHYL-4H-PYRIDO-[1,2-ALPHA]PYRIMIDIN-4-ONE;3-(2-CHLOROETHYL)-2-METHYLPYRIDO[1,2-A]PYRIMIDIN-4-ONE;3-(2-Chloroethyl)-2-methylpyrido[1,2-α]pyrimidin-4-one;3-(2-Chloroethyl)-6,7,8,9-Tetrahydro-2-Methyl-4H-Pyridin[1,2-A]-PyrimidineC4-One;3-(2-Chloroethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one 3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
• CAS NO: 41078-70-0
• Molecular Formula: C₁₁H₁₁ClN₂O
• Molecular Weight: 222.67
• EINECS: 255-207-0
• Product Categories: Heterocyclic Compounds;Bases & Related Reagents;Heterocycles;Intermediates & Fine Chemicals;Nucleotides;Pharmaceuticals
• Mol File: 41078-70-0.mol
• Article Data: 9

Chemical Properties

• Melting Point: 144.0 to 148.0 °C
• Boiling Point: 348.7 °C at 760 mmHg
• Flash Point: 164.7 °C
• Appearance: White solid
• Density: 1.28 g/cm³
• Vapor Pressure: 4.94E-05mmHg at 25°C
• Refractive Index: 1.611
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-(2-Chloroethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2-Chloroethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one(41078-70-0)
• EPA Substance Registry System: 3-(2-Chloroethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one(41078-70-0)

Safety Data

• Hazardous Substances Data: 41078-70-0(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

InChI:InChI=1/C11H11ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-4,7H,5-6H2,1H3

Upstream product

• 141-97-9 ethyl acetoacetate 
• 107-04-0 1-Bromo-2-chloroethane 
• 462-08-8 pyridin-3-ylamine 
• 380634-63-9 3-(1-(pyridin-2-ylamino)ethylidene)dihydrofuran-2-(3H)-one 
• 517-23-7 3-acetyl-2-oxo-4,5-dihydrofuran 
• 504-29-0 2-aminopyridine 

Downstream Products

• 75444-65-4 pirenperone 
• 108855-18-1 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one 
• 1345732-45-7 3-(2-(4-(4-tert-butylphenylsulfonyl)piperazin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one 
• 1345732-46-8 3-(2-(4-(phenylsulfonyl)piperazin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one 
• 1345732-48-0 2-methyl-3-(2-(4-tosylpiperazin-1-yl)ethyl)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one 
• 1345732-49-1 3-(2-(4-(2-fluorobenzoyl)piperazin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one 
• 1345732-50-4 3-(2-(4-(3-bromobenzoyl)piperazin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one 
• 1345732-51-5 3-(2-(4-(3-methoxybenzoyl)piperazin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one 
• 1345732-52-6 3-(2-(4-(2,4-dichlorobenzoyl)piperazin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one 
• 1345732-53-7 3-(2-(4-(3,5-dinitrobenzoyl)piperazin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one 
• 1345732-54-8 3-(2-(4-(4-tert-butylbenzoyl)piperazin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one 
• 1345732-42-4 3-(2-(4-(2,5-dichlorophenylsulfonyl)piperazin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one 
• 1345732-43-5 3-(2-(4-(4-chlorophenylsulfonyl)piperazin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one 
• 1345732-44-6 3-(2-(4-(2-nitrophenylsulfonyl)piperazin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one 

Relevant articles and documents

Synthesis method of 3-(2-chloroethyl)-2-methyl-4H-pyrido [1,2-a] pyrimidine-4-ketone

The invention provides a synthesis method of 3-(2-chloroethyl)-2-methyl-4H-pyrido [1,2-a] pyrimidine-4-ketone. The method comprises the following steps: carrying out substitution reaction on ethyl acetoacetate and 1-bromo-2-chloroethane under an alkaline condition to obtain 2-acetyl-4-chlorobutyric acid ethyl ester, and reacting the 2-acetyl-4-chlorobutyric acid ethyl ester with 2-aminopyridine to obtain a risperidone intermediate 3-(2-chloroethyl)-2-methyl-4H-pyrido [1,2-a] pyrimidine-4-ketone. The method is simple to operate and suitable for industrial production. The compound 2-acetyl-4-chlorobutyric acid ethyl ester provided by the invention can be used as a raw material or an intermediate for synthesizing 3-(2-chloroethyl)-2-methyl-4H-pyrido [1,2-a] pyrimidine-4-ketone, and then risperidone is synthesized. The invention also provides an application of the compound 2-acetyl-4-chlorobutyric acid ethyl ester as an impurity reference substance of the 3-(2-chloroethyl)-2-methyl-4H-pyrido [1, 2-a] pyrimidine-4-ketone.

Derisking the Cu-Mediated 18F-Fluorination of Heterocyclic Positron Emission Tomography Radioligands

Molecules labeled with fluorine-18 (18F) are used in positron emission tomography to visualize, characterize and measure biological processes in the body. Despite recent advances in the incorporation of 18F onto arenes, the development of general and efficient approaches to label radioligands necessary for drug discovery programs remains a significant task. This full account describes a derisking approach toward the radiosynthesis of heterocyclic positron emission tomography (PET) radioligands using the copper-mediated 18F-fluorination of aryl boron reagents with 18F-fluoride as a model reaction. This approach is based on a study examining how the presence of heterocycles commonly used in drug development affects the efficiency of 18F-fluorination for a representative aryl boron reagent, and on the labeling of more than 50 (hetero)aryl boronic esters. This set of data allows for the application of this derisking strategy to the successful radiosynthesis of seven structurally complex pharmaceutically relevant heterocycle-containing molecules.

Synthesis and in vitro antiproliferative activity of 2-methyl-3-(2- piperazin-1-yl-ethyl)-pyrido[1,2-a]pyrimidin-4-one derivatives against human cancer cell lines

A series of new 2-methyl-3-(2-piperazin-1-yl-ethyl)-pyrido[1,2-a]pyrimidin- 4-one derivatives 6a-j were synthesized by a nucleophilic substitution reaction of 2-methyl-3-(2-piperazin-1-ylethyl)-pyrido[1,2-a]pyrimidin-4-one with various sulfonyl chlorides. The compounds were characterized by different spectral studies. All the compounds were evaluated for their antiproliferative effect using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) assay method against four human cancer cell lines (K562, Colo-205, MDA-MB 231, IMR-32) for the time period of 24 h. Among the series, compounds 6d, 6e and 6i showed good activity on all cell lines except K562, whereas the other compounds in the series exhibited moderate activity. Compound 6d could be a potential anticancer agent and therefore deserves further research.