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Home > Encyclopedia > 6-broMophthalazine-1,4-diol

6-broMophthalazine-1,4-diol

6-broMophthalazine-1,4-diol structure

6-broMophthalazine-1,4-diol 

structure
  • CAS No:

    76240-49-8

  • Formula:

    C8H5BrN2O2

  • Chemical Name:

    6-broMophthalazine-1,4-diol

  • Synonyms:

    6-Bromophthalazine-1,4-diol;6-bromo-2,3-dihydrophthalazine-1,4-dione;1(2H)-Phthalazinone, 7-bromo-4-hydroxy-;6-bromo-phthalazine-1,4-diol;SCHEMBL2457623;CTK8B5263;DTXSID80464085;ANW-48159;ZINC20159958;AKOS015919520

  • Categories:

    Chemical Reagents  >  Organic Reagents

6-broMophthalazine-1,4-diol Basic Attributes

241.0415

239.95300

DTXSID80464085

2933990090

Characteristics

58.2

1.1

6-broMophthalazine-1,4-diol Use and Manufacturing

A stirred solution of 4-bromophthalic anhydride (50. g, 0.22 mol) in acetic acid (150 mL) was heated at 125 °C for 1 h. The mixture was then cooled to ambient temperature and hydrazine hydrate (1 1 .25 mL, 0.23 mol) was added dropwise over 5 min, resulting in the formation of a thick white solid, further acetic acid (50 mL) was added and the mixture was heated at 125 °C for 30 min. The mixture was cooled and diluted with acetic acid (200 mL) before being filtered. The filter cake was washed with acetic acid (3 x 100 mL) and dried under vacuum. The cake was then dissolved in 5percent (w/w) NaOH solution (250 mL), the suspension was acidified with acetic acid (30 mL) to give a thick white precipitate. The mixture was filtered and the filter cake washed sequentially with water (2 x 200 mL) and methanol (2 x 200 mL), and then dried under vacuum at 40 °C to give a white solid, 6- bromo-2, 3-dihydrophthalazine-1 , 4-dione (55 g, 0.23 mol, quant.).Example 48 and 49: Synthesis of 6-{[(2, 4-Dichlorophenyl)methyl]amino}-4-chIoro- IH-phthalazin-l-one and T-IKZ^-dichloropheny^methyllaminoJ^-chloro-lH- phthalazin-1-one;

Computed Properties

Molecular Weight:241.04
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:239.95344
Monoisotopic Mass:239.95344
Topological Polar Surface Area:58.2
Heavy Atom Count:13
Complexity:257
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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