3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Basic Information

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CAS Number

63234-80-0

Molecular Formula

C11H15ClN2O

Molecular Weight

226.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

76.0 to 80.0 deg-C

Boiling Point

337 ºC

Density

1.30

Flash Point

157 ºC

Refractive Index

1.611

SMILES

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CC1=C(C(=O)N2CCCCC2=N1)CCCl

InChI

InChI=1S/C11H15ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-7H2,1H3

InChIKey

CMWCQQUYLPYOMY-UHFFFAOYSA-N

LogP

1.66932

Topological Polar Surface Area

34.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

347

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

J-510497
3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-one
SCHEMBL460865
AS-73540
3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[ 1,2-a]pyrimidin-4-one
Piperidopyrimidinone intermediate
3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-4-one
SY047063
EN300-7388138
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-
Q27253442
BCP11946
CS-W014205
3-(2-Chloro-ethyl)-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one
FT-0640879
2089CR1AQN
AC-3457
1,2-Benzisoxazole,4-fluoro-3-(4-piperidinyl)-
3-(2-chloroethyl)-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
SB10296
3-(2-Chloroethyl)-6,7,8,9-TH-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
FT-0705669
63234-80-0
4H-Pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-
3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]-pyrimidin-4-one
MFCD06200813
3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Risperidone impurity L [EP]
CMWCQQUYLPYOMY-UHFFFAOYSA-N
UNII-2089CR1AQN

MDL Number

MFCD06200813

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 63234-80-0)?

The compound 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 63234-80-0) is a solid with a crystalline form. Its molecular weight is approximately 269.6 g/mol. The compound is slightly soluble in water but soluble in organic solvents such as methanol and ethanol. Chemically, it is moderately reactive, particularly towards nucleophiles and bases. It is also known for its stability under acidic and basic conditions.

How is 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 63234-80-0) typically synthesized?

3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 63234-80-0) is typically synthesized via a multi-step process involving the reaction of 2-chloroethylamine with methyl pyrimidine-2,4-dione. The synthesis involves the use of various catalysts and solvents, with good selectivity and yield. The final product is then purified by recrystallization or column chromatography.

What industries use 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 63234-80-0)?

3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 63234-80-0) is primarily used in the pharmaceutical industry for its potential as an antifungal agent. It also finds applications in the polymer industry for its ability to modify polymer properties, and in the sensor industry for its chemical sensing capabilities.

What precautions should be taken when handling 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 63234-80-0)?

When handling 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 63234-80-0), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or fume hood to avoid inhalation. In case of a spill, absorb with an appropriate absorbent material and dispose of in accordance with local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.