| Identification | Back Directory | [Name]
6-CHLORO-BENZOFURAN-3-ONE | [CAS]
3260-78-4 | [Synonyms]
6-Bromo-3-Benzofuranone
6-CHLORO-BENZOFURAN-3-ONE
6-BROMOBENZOFURAN-3(2H)-ONE
6-Chlorobenzofuran-3(2H)-one
6-Chloro-3(2H)-benzofuranone
3(2H)-BENZOFURANONE, 5-BROMO-
3(2H)-Benzofuranone, 6-chloro-
6-chloro-2,3-dihydro-1-benzofuran-3-one | [Molecular Formula]
C8H5ClO2 | [MDL Number]
MFCD06738724 | [MOL File]
3260-78-4.mol | [Molecular Weight]
168.58 |
| Chemical Properties | Back Directory | [Melting point ]
123-123.5 °C | [Boiling point ]
304.3±42.0 °C(Predicted) | [density ]
1.428±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [Appearance]
Yellow to brown Solid | [InChI]
InChI=1S/C8H5ClO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3H,4H2 | [InChIKey]
QSYZLDHZMYWEKL-UHFFFAOYSA-N | [SMILES]
O1C2=CC(Cl)=CC=C2C(=O)C1 |
| Hazard Information | Back Directory | [Chemical Properties]
Orange Solid | [Uses]
6-Bromobenzofuran-3(2H)-one is a useful reactant for the preparation of tricyclic sulfones as RORγ modulators. | [Synthesis]
Step 3: 2-(carboxymethoxy)-4-chlorobenzoic acid (11.5 g, 50 mmol) obtained from step 2 was dissolved in acetic anhydride (100 ml) and anhydrous sodium acetate (10.0 g, excess) was added. The reaction mixture was heated to 150 °C and maintained for 4 hours. During the reaction, the color of the mixture changed to deep red. Upon completion of the reaction, the mixture was cooled to room temperature and quenched carefully with ice-cold water. The resulting red solid was collected by filtration and washed well with water. The washed red solid was suspended in 1N HCl and refluxed for 2 hours. After the reaction, 6-chlorobenzofuran-3(2H)-one precipitated from the mixture as a deep red solid. The product was isolated by filtration, washed well with water and dried at 40 °C and used in subsequent steps without further purification. Yield: 5.8 g (69%); MS data: (M + H): 169. | [References]
[1] Patent: US2009/54454, 2009, A1. Location in patent: Page/Page column 22
[2] Patent: WO2004/99191, 2004, A2. Location in patent: Page 49
[3] Patent: US2005/4162, 2005, A1. Location in patent: Page/Page column 12 |
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