2-(Chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one

Basic Information

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CAS Number

16867-35-9

Molecular Formula

C9H7ClN2O

Molecular Weight

194.62 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

319.2°Cat760mmHg

Density

1.36

Flash Point

146.8°C

Refractive Index

1.64

SMILES

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C1=CC2=NC(=CC(=O)N2C=C1)CCl

InChI

InChI=1S/C9H7ClN2O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h1-5H,6H2

InChIKey

QANDFEYEAYUSKD-UHFFFAOYSA-N

LogP

1.4332999999999998

Topological Polar Surface Area

34.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

366

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

A882159
BS-9862
CS-0038147
AKOS000118254
EN300-14725
J-506294
BB 0257228
4-oxo-2-chloromethyl-4h-pyrido[1,2-a]pyrimidine
2-(chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
4H-Pyrido[1,2-a]pyrimidin-4-one,2-(chloromethyl)-
FT-0679237
DTXSID40408965
AM803310
2-(chloromethyl)-4H-pyrido[1,2-a] pyrimidin-4-one
Z89270675
SCHEMBL890385
16867-35-9
2-(chloromethyl)-5-hydropyridino[1,2-a]pyrimidin-4-one
MFCD03001117
F0917-7537
QANDFEYEAYUSKD-UHFFFAOYSA-N
2-(Chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2-Chloromethyl-pyrido[1,2-a]pyrimidin-4-one
2-(chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one(SALTDATA: FREE)
Albb-006642
2-(chloromethyl)pyrido[2,1-b]pyrimidin-4-one
2-(chloromethyl)-4-pyrido[2,1-b]pyrimidinone

MDL Number

MFCD03001117

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-(Chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 16867-35-9)?

2-(Chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 16867-35-9) is a white or off-white crystalline solid. Its molecular weight is approximately 244.65 g/mol. It has moderate solubility in common organic solvents like methanol and ethanol but is sparingly soluble in water. This compound is known for its good thermal stability and exhibits limited reactivity under normal conditions. It is not typically flammable or explosive.

How is 2-(Chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 16867-35-9) typically synthesized?

2-(Chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one is typically synthesized via a nucleophilic substitution reaction of pyridopyrimidine-4(3H)-one with chloromethyl chlorides. The reaction is catalyzed by a Lewis acid such as aluminum trichloride. The yield is generally high, and the compound can be isolated by recrystallization from organic solvents. This synthesis method ensures good selectivity and high purity of the product.

What industries use 2-(Chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 16867-35-9)?

2-(Chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 16867-35-9) is primarily used in the pharmaceutical and agrochemical industries for the synthesis of other compounds. It also finds applications in the development of sensors and in the preparation of certain semiconductors. Due to its unique chemical properties, it is a valuable intermediate in these fields.

What precautions should be taken when handling 2-(Chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 16867-35-9)?

When handling 2-(Chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 16867-35-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation of fumes. In case of spill, use absorbent materials and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.