9-Chloro-2-methyl-5H-pyrazolo[1,5-d][1,4]benzodiazepin-6(7H)-one | CAS No. 84661-23-4

9-Chloro-2-methyl-5H-pyrazolo[1,5-d][1,4]benzodiazepin-6(7H)-one

Basic Information

CAS Number

84661-23-4

Molecular Formula

C12H10ClN3O

Molecular Weight

247.68 g/mol

AD

Basic Physical Properties

Melting Point

286 ºC

Density

1.49

O=C1NC2=CC(Cl)=CC=C2C3=CC(C)=NN3C1

InChI

InChI=1S/C12H10ClN3O/c1-7-4-11-9-3-2-8(13)5-10(9)14-12(17)6-16(11)15-7/h2-5H,6H2,1H3,(H,14,17)

InChIKey

FGZQGZNGUJCHEF-UHFFFAOYSA-N

LogP

2.4640199999999997

Topological Polar Surface Area

46.92 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Synonyms & References

English

  • Erdosteine
  • 9-Chloro-2-methyl-5H-pyrazolo[1,5-d][1,4]benzodiazepin-6(7H)-one
  • 9-chloro-2-methyl-5H-benzo[f]pyrazolo[1,5-d][1,4]diazepin-6(7H)-one

FAQ

What are the physical and chemical properties of 9-Chloro-2-methyl-5H-pyrazolo[1,5-d][1,4]benzodiazepin-6(7H)-one (CAS: 84661-23-4)?

9-Chloro-2-methyl-5H-pyrazolo[1,5-d][1,4]benzodiazepin-6(7H)-one is a crystalline compound with a molecular weight of 288.01 g/mol. It is sparingly soluble in water but soluble in organic solvents like ethanol and acetonitrile. The compound is known for its good stability and moderate reactivity, especially towards nucleophiles.

How is 9-Chloro-2-methyl-5H-pyrazolo[1,5-d][1,4]benzodiazepin-6(7H)-one (CAS: 84661-23-4) typically synthesized?

9-Chloro-2-methyl-5H-pyrazolo[1,5-d][1,4]benzodiazepin-6(7H)-one can be synthesized through a series of reactions including the condensation of appropriate precursors, followed by ring closure and chlorination steps. The synthesis typically requires a catalyst and involves multi-step processes to achieve high yield and selectivity.

What industries use 9-Chloro-2-methyl-5H-pyrazolo[1,5-d][1,4]benzodiazepin-6(7H)-one (CAS: 84661-23-4)?

9-Chloro-2-methyl-5H-pyrazolo[1,5-d][1,4]benzodiazepin-6(7H)-one finds applications in the pharmaceutical industry for drug synthesis, as well as in the development of sensors and semiconductors due to its unique physicochemical properties.

What precautions should be taken when handling 9-Chloro-2-methyl-5H-pyrazolo[1,5-d][1,4]benzodiazepin-6(7H)-one (CAS: 84661-23-4)?

When handling 9-Chloro-2-methyl-5H-pyrazolo[1,5-d][1,4]benzodiazepin-6(7H)-one, it is recommended to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure proper ventilation in a fume hood during handling, and follow safety data sheet (SDS) guidelines for spill management and disposal.

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