4-BROMOOXINDOLE Chemical Properties

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 Information

Hazard Codes 

Xn

Risk Statements 

22-37/38-41

Safety Statements 

26-39

HazardClass 

IRRITANT

HS Code 

2933790090

4-BROMOOXINDOLE Usage And Synthesis

Uses

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

Synthesis

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

4-BROMOOXINDOLE(99365-48-7)Related Product Information

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• 4-bromo-3-[(2,2,2-trifluoroethyl)amino]-1,3-dihydro-2H-indol-2-one
• 4-BROMO-5-METHOXYINDOLINE-2,3-DIONE
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• 4-bromo-3-(ethylamino)-1,3-dihydro-2H-indol-2-one