ChemicalBook--->CAS DataBase List--->75884-70-7

75884-70-7

75884-70-7 Structure

75884-70-7 Structure
IdentificationBack Directory
[Name]

6-BROMOPHTHALAZIN-1(2H)-ONE
[CAS]

75884-70-7
[Synonyms]

6-Bromophthalazinone
6-BROMOPHTHALAZIN-1(2H)-ONE
6-Bromophthalazin-1(4H)-one
6-bromo-2H-phthalazin-1-one
6-Bromo-2,3-Bisphthalazinone
1(2H)-Phthalazinone, 6-broMo-
6-Bromophthalazin-1(4H)-one,98%
6-broMo-1,2-dihydrophthalazin-1-one
[Molecular Formula]

C8H5BrN2O
[MDL Number]

MFCD09264003
[MOL File]

75884-70-7.mol
[Molecular Weight]

225.042
Chemical PropertiesBack Directory
[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
Questions And AnswerBack Directory
[Uses]

6-Bromo-2,3-diazanaphthone belongs to the ketone derivative class and can be used as a pharmaceutical and chemical intermediate.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Hydrazinium hydroxide solution-->ZINC-->Copper(II) sulfate-->4-Bromophthalimide-->3,5-dibromo-1(3H)-Isobenzofuranone-->5-bromo-3-hydroxyisoindolin-1-one
[Preparation Products]

6-Bromo-2-methyl-2H-phthalazin-1-one
Spectrum DetailBack Directory
[Spectrum Detail]

6-BROMOPHTHALAZIN-1(2H)-ONE(75884-70-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

1(3H)-Isobenzofuranone, 5-bromo-3-hydroxy-

102126-71-6

6-BROMOPHTHALAZIN-1(2H)-ONE

75884-70-7

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
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