ChemicalBook--->CAS DataBase List--->391-12-8

391-12-8

391-12-8 Structure

391-12-8 Structure
IdentificationMore
[Name]

7-(Trifluoromethyl)indoline-2,3-dione
[CAS]

391-12-8
[Synonyms]

7-(TRIFLUOROMETHYL)-1H-INDOLE-2,3-DIONE
7-(TRIFLUOROMETHYL)INDOLINE-2,3-DIONE
7-(TRIFLUOROMETHYL)ISATIN
BUTTPARK 24\07-40
7-(trifluoromethyl)indole-2,3-dione
7-(Trifluoromethyl)indoline-2,3-dione 98%
7-(Trifluoromethyl)indoline-2,3-dione98%
7-TRIFLUOROMETHYLINDOLE
[EINECS(EC#)]

672-653-5
[Molecular Formula]

C9H4F3NO2
[MDL Number]

MFCD01248408
[Molecular Weight]

215.13
[MOL File]

391-12-8.mol
Chemical PropertiesBack Directory
[Appearance]

Brown Solid
[Melting point ]

192-193
[density ]

1.525±0.06 g/cm3(Predicted)
[storage temp. ]

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

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

9.43±0.20(Predicted)
[color ]

Very Dark Yellow to Brown
[Usage]

An indole derivative as inhibitor of COX-1, COX-2, and ?catenin.Useful in the treatment of diseases such as: lung cancer, diabetes and Alzheimer disease.
[InChI]

InChI=1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15)
[InChIKey]

MXLDJTXXAYVWDF-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC=C2C(F)(F)F)C(=O)C1=O
[CAS DataBase Reference]

391-12-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

22-36-52
[Safety Statements ]

26
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2933790090
Hazard InformationBack Directory
[Chemical Properties]

7-(Trifluoromethyl)indoline-2,3-dione is Brown Solid
[Uses]

7-(Trifluoromethyl)indoline-2,3-dione is an indole derivative as inhibitor of COX-1, COX-2, and ?catenin.Useful in the treatment of diseases such as: lung cancer, diabetes and Alzheimer disease.
[Uses]

An indole derivative as inhibitor of COX-1, COX-2, and β-catenin. Useful in the treatment of diseases such as: lung cancer, diabetes and Alzheimer's disease.
[Uses]

An indole derivative as inhibitor of COX-1, COX-2, and β-catenin. Useful in the treatment of diseases such as: lung cancer, diabetes and Alzheimer''s disease.
[Synthesis]

N-(2-trifluoromethylphenyl)-2-oxyiminoacetamide

444-93-9

7-(Trifluoromethyl)indoline-2,3-dione

391-12-8

General procedure: Concentrated sulfuric acid (95 mL) was preheated in a thermostatic flask at 60 °C. Intermediate 2 ((2E)-2-(hydroxyimino)-N-[2-(trifluoromethyl)phenyl]acetamide, 12 g, 52 mmol) was added slowly in batches while keeping the reaction temperature below 70 °C. Subsequently, the temperature of the reaction system was raised to 80°C for 3 hours. Upon completion of the reaction, the mixture was cooled to room temperature and quenched by slow pouring into crushed ice under vigorous stirring. The precipitated solid precipitate was collected by filtration and dried in a vacuum drying oven to give the final product 3 (7-(trifluoromethyl)dihydroindole-2,3-dione).

[References]

[1] Chinese Chemical Letters, 2017, vol. 28, # 6, p. 1248 - 1251
[2] ACS Medicinal Chemistry Letters, 2013, vol. 4, # 1, p. 22 - 26
[3] Journal of Medicinal Chemistry, 2010, vol. 53, # 16, p. 6003 - 6017
Spectrum DetailBack Directory
[Spectrum Detail]

7-(Trifluoromethyl)indoline-2,3-dione(391-12-8)MS
7-(Trifluoromethyl)indoline-2,3-dione(391-12-8)1HNMR
7-(Trifluoromethyl)indoline-2,3-dione(391-12-8)IR1
7-(Trifluoromethyl)indoline-2,3-dione(391-12-8)IR2
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

7-(Trifluoromethyl)isatin,>98.0%(GC)(T)(391-12-8)
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