ChemicalBook--->CAS DataBase List--->99365-48-7

99365-48-7

99365-48-7 Structure

99365-48-7 Structure
IdentificationBack Directory
[Name]

4-BROMOOXINDOLE
[CAS]

99365-48-7
[Synonyms]

4-BROMOOXINDOLE
4-Bromo-2-oxindole
4-BROMO-2-OXYINDOLE
4-Bromoindolin-2-one
4-Bromooxindole ,98%
4-broMo-1H-indol-1-ol
4-bromo-2H-indol-2-one
4-BroMo-1,3-dihydro-indol-2-one
4-Bromo-2,3-dihydro-1H-indol-2-one
4-Bromo-1,3-dihydro-2H-indol-2-one
4-BROMOOXINDOLE in stock Factory
2H-Indol-2-one, 4-broMo-1,3-dihydro-
4-BroMo-2,3-dihydro-1H-indol-2-one, 97%+
[EINECS(EC#)]

1312995-182-4
[Molecular Formula]

C8H6BrNO
[MDL Number]

MFCD06659911
[MOL File]

99365-48-7.mol
[Molecular Weight]

212.04
Chemical PropertiesBack Directory
[Melting point ]

202-208
[Boiling point ]

358.2±42.0 °C(Predicted)
[density ]

1.666±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

13.24±0.20(Predicted)
[color ]

White to Light yellow to Light orange
[InChI]

InChI=1S/C8H6BrNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
[InChIKey]

XQQPPAZTHUEMPF-UHFFFAOYSA-N
[SMILES]

N1C2=C(C(Br)=CC=C2)CC1=O
[CAS DataBase Reference]

99365-48-7
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-37/38-41
[Safety Statements ]

26-39
[HazardClass ]

IRRITANT
[HS Code ]

2933790090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Bromoindole-->(2-BROMO-6-NITRO-PHENYL)-ACETIC ACID-->4-BROMOISATIN
Hazard InformationBack Directory
[Uses]

4-Bromooxindole is a reactant that has been used in the preparation of benzylidene bromo isatin derivatives with antitumor activity.
[Synthesis]

(2-BROMO-6-NITRO-PHENYL)-ACETIC ACID

37777-74-5

4-BROMOOXINDOLE

99365-48-7

To a stirred solution of 2-(2-bromo-6-nitrophenyl)acetic acid (0.66 g, 2.54 mmol) dissolved in a solvent mixture of 50% H2SO4 (6.0 mL) and EtOH (10.0 mL), zinc powder (0.66 g, 10.1 mmol) was added, and the reaction was carried out at 90 °C in an N2 atmosphere. After completion of the reaction, the reaction mixture was treated according to a similar method as in preparation 5 to give the intermediate 4-bromoindolone (0.50 g, 93% yield). The mass spectrum (electrospray ionization) showed an M+1 peak of 212 and an M+2 peak of 214.

[References]

[1] Patent: US2003/225127, 2003, A1. Location in patent: Page 16
[2] Chemical and Pharmaceutical Bulletin, 1985, vol. 33, # 4, p. 1414 - 1418
Spectrum DetailBack Directory
[Spectrum Detail]

4-BROMOOXINDOLE(99365-48-7)1HNMR
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