6-(4-Fluorophenoxy)-3-[(1-isopropyl-3-piperidinyl)methyl]-2-methyl-4(3H)-quinazolinone | CAS No. 875258-85-8

6-(4-Fluorophenoxy)-3-[(1-isopropyl-3-piperidinyl)methyl]-2-methyl-4(3H)-quinazolinone

Basic Information

CAS Number

875258-85-8

Molecular Formula

C24H28FN3O2

Molecular Weight

409.51 g/mol

AD

Basic Physical Properties

Solubility

H2O: soluble2mg/mL, clear (warmed)

Cc1nc2ccc(cc2c(=O)n1CC3CCCN(C3)C(C)C)Oc4ccc(cc4)F

InChI

InChI=1S/C24H28FN3O2/c1-16(2)27-12-4-5-18(14-27)15-28-17(3)26-23-11-10-21(13-22(23)24(28)29)30-20-8-6-19(25)7-9-20/h6-11,13,16,18H,4-5,12,14-15H2,1-3H3

InChIKey

FRKXOBMDEXCHHD-UHFFFAOYSA-N

LogP

4.756720000000005

Topological Polar Surface Area

47.36 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Synonyms & References

English

  • YIL 781
  • 4(3H)-Quinazolinone, 6-(4-fluorophenoxy)-2-Methyl-3-[[(3S)-1-(1-Methylethyl)-3-piperidinyl]Methyl]-
  • 6-(4-Fluorophenoxy)-3-{[(3S)-1-isopropyl-3-piperidinyl]methyl}-2- methyl-4(3H)-quinazolinone hydrochloride (1:1)
  • 6-(4-Fluorophenoxy)-2-methyl-3-[[(3S)-1-(1-methylethyl)-3-piperidinyl]methyl]-4(3H)-quinazolinone (ACI)
  • (S)-6-(4-Fluorophenoxy)-3-[(1-isopropylpiperidin-3-yl)methyl]-2-methylquinazolin-4(3H)-one

MDL Number

MFCD27980545

FAQ

What are the physical and chemical properties of 6-(4-Fluorophenoxy)-3-[(1-isopropyl-3-piperidinyl)methyl]-2-methyl-4(3H)-quinazolinone (CAS: 875258-85-8)?

The compound 6-(4-Fluorophenoxy)-3-[(1-isopropyl-3-piperidinyl)methyl]-2-methyl-4(3H)-quinazolinone (CAS: 875258-85-8) is a solid with a crystalline form. Its molecular weight is approximately 431.28 g/mol. The compound has low water solubility and moderate solubility in organic solvents. It is a moderately reactive compound, showing good stability under normal conditions but can react with strong acids or bases.

How is 6-(4-Fluorophenoxy)-3-[(1-isopropyl-3-piperidinyl)methyl]-2-methyl-4(3H)-quinazolinone (CAS: 875258-85-8) typically synthesized?

6-(4-Fluorophenoxy)-3-[(1-isopropyl-3-piperidinyl)methyl]-2-methyl-4(3H)-quinazolinone (CAS: 875258-85-8) is typically synthesized via a multi-step process involving the reaction of a fluorophenol derivative with a piperidine derivative. This process requires specific catalysts and solvents to ensure high selectivity and yield. The final product undergoes purification by recrystallization and is suitable for pharmaceutical applications.

What industries use 6-(4-Fluorophenoxy)-3-[(1-isopropyl-3-piperidinyl)methyl]-2-methyl-4(3H)-quinazolinone (CAS: 875258-85-8)?

6-(4-Fluorophenoxy)-3-[(1-isopropyl-3-piperidinyl)methyl]-2-methyl-4(3H)-quinazolinone (CAS: 875258-85-8) is primarily used in the pharmaceutical industry for the development of new drugs. It can also be applied in the sensors and semiconductors industry due to its unique chemical structure and potential in electronic and optical applications.

What precautions should be taken when handling 6-(4-Fluorophenoxy)-3-[(1-isopropyl-3-piperidinyl)methyl]-2-methyl-4(3H)-quinazolinone (CAS: 875258-85-8)?

When handling 6-(4-Fluorophenoxy)-3-[(1-isopropyl-3-piperidinyl)methyl]-2-methyl-4(3H)-quinazolinone (CAS: 875258-85-8), it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and lab coats. Ensure that all operations are conducted in a well-ventilated area or a fume hood due to its potential for respiratory irritation. In case of spillage, follow the standard safety protocols and refer to the safety data sheet (SDS) for detailed instructions.

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