4-BROMO-2-BENZOFURAN-1(3H)-ONE
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4-BROMO-2-BENZOFURAN-1(3H)-ONE
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CAS No:
102308-43-0
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Formula:
C8H5BrO2
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Chemical Name:
4-BROMO-2-BENZOFURAN-1(3H)-ONE
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Synonyms:
4-BROMOPHTHALIDE;4-BROMO-3H-ISOBENZOFURAN-1-ONE;4-BROMO-2-BENZOFURAN-1(3H)-ONE;4-broMo-1,3-dihydro-2-benzofuran-1-one;4-BROMOISOBENZOFURAN-1(3H)-ONE;4-Bromo-3H-isobenzofuran-1-one, 4-Bromobenzo[c]furan-1(3H)-one;4-Bromo-1(3H)-isobenzofuranone
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CAS No:
Characteristics
26.3
2
1.742±0.06 g/cm3(Predicted)
103-104 °C(Solv: ethanol (64-17-5); water (7732-18-5))
378.2±42.0 °C(Predicted)
182.5±27.9 °C
1.625
4-BROMO-2-BENZOFURAN-1(3H)-ONE Use and Manufacturing
To a mixture of l-(3-((5-aminopyridin-3-yl)amino)-5-methyl-5H-chromeno[4, 3- c]pyridin-8-yl)pyrrolidin-2-one (100 mg, 0.236 mmol, HC1 salt) and 4-bromoisobenzofuran- l(3H)-one (75 mg, 0.354 mmol) in toluene (5 mL) was added AlMei (2 M in toluene, 0.47 mL, 0.94 mmol) dropwise at 0 C, then warmed to 25 C and stirred for 0.5 hour. The reaction mixture was heated at 50 C and stirred for 4.5 h to give a yellow suspension. LCMS (Rt = 0.774 min; MS Calcd: 599.1; MS Found: 600.1 [M+H]+). The mixture was quenched with saturated aqueous sodium potassium tartrate (25 mL), followed by EtOAc (15 mL). The white precipitate was filtered and dried under high vacuum to give 3-bromo-2-(hydroxymethyl)-N- (5-((5-methyl-8-(2-oxopyrrolidin-l-yl)-5H-chromeno[4, 3-c]pyridin-3-yl)amino)pyridin-3- yl)benzamide (80 mg, yield: 50%) as an off-white solid.
Computed Properties
Molecular Weight:213.03
XLogP3:2
Hydrogen Bond Acceptor Count:2
Exact Mass:211.94729
Monoisotopic Mass:211.94729
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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