3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride | CAS No. 93076-03-0

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

Basic Information

CAS Number

93076-03-0

Molecular Formula

C11H16Cl2N2O

Molecular Weight

263.17 g/mol

AD

Basic Physical Properties

Melting Point

209-212°C

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

InChI

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

InChIKey

OPYLAGAQMHMBNY-UHFFFAOYSA-N

LogP

2.09112

Topological Polar Surface Area

34.89 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

347

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H332 Harmful if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride
  • 3-(2-CE)-2-M-6,7,8,9-th-4H-pyrido[1,2-a]-pyrimidine-4-one Hcl
  • 3-(2-CHLORO ETHYL)-2-METHYL-6,7,8,9-TETRAHYDRO-4H-PYRIDO-(1,2-?) PYRIMIDINE-4-ONE HCL
  • 3-(2-Chloroethyl)-2-methyl-6,7,8,9- tetrahydro-4H-pyrido[1, 2-a]-pyrimidin-4-one HCl
  • 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-2H-pyrido[1,2-a]pyrimidin-4(3H)-one
  • 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one,hydrochloride
  • 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride
  • 4H-Pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-, monohydrochloride (9CI)
  • 3-(2-Chloroethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-1-iumchloride
  • 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-onehydrochloride
  • 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one Hydrochloride (Risperidone Piperidopyrimidinone Intermediate Hydrochloride)
  • AK106091
  • 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1, 2-a]-pyrimidin-4-one HCl
  • OPYLAGAQMHMBNY-UHFFFAOYSA-N
  • 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one hydrochloride
  • 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-onehydrochloride
  • C109
  • 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-, monohydrochloride (9CI)
  • 3-(2-Chloroethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-1-ium chloride
  • SCHEMBL1443956
  • 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one--hydrogen chloride (1/1)
  • DTXSID00575602
  • 3-(2-Chloroethyl)-6,7,8,9-tetra-hydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one monohydrochloride
  • 93076-03-0
  • 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride
  • EC 424-530-0
  • MFCD09031252
  • D78317
  • 3-(2-chloroethyl)-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one hydrochloride
  • 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido [1,2-a]pyrimidin-4-one monohydrochloride
  • 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one HCl

MDL Number

MFCD09031252

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 hydrochloride (CAS: 93076-03-0)?

3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride (CAS: 93076-03-0) is a crystalline solid with a molecular weight of approximately 289.69 g/mol. It has a solubility of about 25 mg/mL in water and is moderately soluble in organic solvents. The compound is generally stable under normal conditions but reacts with bases to form the base. It has moderate reactivity towards nucleophiles and is used in various chemical reactions.

How is 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride (CAS: 93076-03-0) typically synthesized?

3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride (CAS: 93076-03-0) is synthesized via a multi-step process involving the reaction of 2-chloroethylamine with 2-methyl-4,5,6,7-tetrahydro-1H-pyrimidine-4-one. The synthesis typically uses anhydrous conditions and requires careful control of pH and temperature to achieve high yields. The reaction is catalyzed by an appropriate base, and the final product is isolated by crystallization.

What industries use 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride (CAS: 93076-03-0)?

3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride (CAS: 93076-03-0) is used in the pharmaceutical industry for its biological activity. It is also explored in polymer and sensor applications due to its chemical stability and reactivity. Although its specific use cases in semiconductors are limited, it is considered for its potential in electronic and optoelectronic devices.

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 hydrochloride (CAS: 93076-03-0)?

When handling 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride (CAS: 93076-03-0), ensure the use of appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. Work in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed handling and disposal instructions. Proper storage in a dry, cool place is recommended to maintain stability.

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