6-BROMOPHTHALAZIN-1(2H)-ONE Chemical Properties

Melting point:

280-283 °C

Density 

1.82±0.1 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

form 

Solid

pka

11.66±0.20(Predicted)

Appearance

White to off-white Solid

InChI

InChI=1S/C8H5BrN2O/c9-6-1-2-7-5(3-6)4-10-11-8(7)12/h1-4H,(H,11,12)

InChIKey

QMONLZVJOOMKRW-UHFFFAOYSA-N

SMILES

C1(=O)C2=C(C=C(Br)C=C2)C=NN1

6-BROMOPHTHALAZIN-1(2H)-ONE Usage And Synthesis

Uses

6-Bromo-2,3-diazanaphthone belongs to the ketone derivative class and can be used as a pharmaceutical and chemical intermediate.

Synthesis

5-Bromo-3-hydroxyisobenzofuran-1(3H)-one (954 mg, 4.17 mmol) was used as starting material and suspended in isopropanol (10 mL). The suspension was heated to 90 °C and maintained for 1.5 hours. Subsequently, hydrazine monohydrate (0.4 mL, 8.25 mmol) was added in four portions. Upon completion of the reaction, the resulting suspension was filtered and the filter cake was washed with isopropanol to yield 6-bromophthalazin-1(2H)-one (813 mg, 87% yield) as a beige solid.The molecular weight was determined to be 227.12 (M + H)+ by LC-MS.

References

[1] Patent: US2007/3539, 2007, A1. Location in patent: Page/Page column 105
[2] Patent: US4769369, 1988, A

6-BROMOPHTHALAZIN-1(2H)-ONE(75884-70-7)Related Product Information

• 1-Amino-2-bromonaphthalene
• 1-BROMO-2-NAPHTHALDEHYDE
• 6-BROMOPHTHALAZIN-1(2H)-ONE