| Identification | Back Directory | [Name]
4-bromoisoindolin-1-one | [CAS]
337536-15-9 | [Synonyms]
4-bromoisoindolin-1-one
4-BroMoisoindoline-1-one
4-Bromoisoindolin-1-one 97%
4-broMo-2,3-dihydro-1H-isoindol-1-one
1H-Isoindol-1-one,4-broMo-2 3-dihydro- | [Molecular Formula]
C8H6BrNO | [MDL Number]
MFCD09701286 | [MOL File]
337536-15-9.mol | [Molecular Weight]
212.04 |
| Chemical Properties | Back Directory | [Boiling point ]
448.9±45.0 °C(Predicted) | [density ]
1.666 | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
solid | [pka]
13.69±0.20(Predicted) | [color ]
Off-white to light yellow | [InChI]
InChI=1S/C8H6BrNO/c9-7-3-1-2-5-6(7)4-10-8(5)11/h1-3H,4H2,(H,10,11) | [InChIKey]
TYRICULVJRGSTL-UHFFFAOYSA-N | [SMILES]
C1(=O)C2=C(C(Br)=CC=C2)CN1 |
| Hazard Information | Back Directory | [Uses]
4-bromoisoindolin-1-one can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process. | [Synthesis]
To a solution of the 3-bromo-2-bromomethyl-benzoic acid methyl ester (2.74 g, 8.88 [MMOL)] in tetrahydrofuran (70 [ML)] at [0??C] was added 30 percent aq. ammonia (10 ml) and the mixture stirred at room temperature under nitrogen for 18 hours. The solvent was removed by evaporation under reduced pressure. The white residue was partitioned between ethyl acetate (50 mi) and 2M citric acid (50 [ML).] The ethyl acetate was dried magnesium sulfate, filtered and solvent removed by evaporation under reduced pressure. The orange oil was dissolved in minimum [DICHLOROMETHANE] and purified by flash chromatography on silica gel eluting with a solvent gradient of [DICHOROMETHANE/METHANOL] (9: 1) to give the title compound (1.5 g, 80 percent) as a white solid. | [References]
[1] Patent: WO2007/5668, 2007, A2. Location in patent: Page/Page column 36-37
[2] Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 6, p. 3091 - 3107
[3] Patent: US2008/171754, 2008, A1. Location in patent: Page/Page column 104
[4] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 17, p. 4505 - 4509
[5] Patent: WO2004/14357, 2004, A2. Location in patent: Page/Page column 39-40 |
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Heterochem
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