2-bromo-8-fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one
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![2-bromo-8-fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ba05dbebd0c5413ea243f890db63f81f.png "2-bromo-8-fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one")
2-bromo-8-fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one
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CAS No:
283173-80-8
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Formula:
C11H8BrFN2O
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Chemical Name:
2-bromo-8-fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one
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Synonyms:
2-bromo-8-fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one;2-Bromo-8-fluoro-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one;Rucaparib int;5-bromo-8-fluoro-2,3,4,6-tetrahydro-1H-azepino[5,4,3-cd]indol-1-one;5-bromo-8-fluoro-3,4-dihydro-2H- azepino[5,4,3-cd]indol-1(6H)-one;2-bromo-8-fluoro-4;3-cd]indol-6(3H)-one;5-dihydro-1H-azepino[5
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CAS No:
2-bromo-8-fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one Basic Attributes
283.0964232
281.980408
1592732-453-0
2-bromo-8-fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one Use and Manufacturing
8-Fluoro-4, 5-dihydro-lH-azepino[5, 4, 3-cd]indol-6(3H)-one, (lOg; 49.0 mmol) is suspended at ambient temperature in 1 L reactor in 225 mL of dichloromethane/tetrahydrofuran mixture (1/3). Obtained suspension is cooled to 5°C while stirring and THF solution of pyridinium tribromide is added dropwise (17.22 g; 53.9 mmol in 75 mL THF). Obtained suspension is stirred at 5°C for 2 hours until conversion is complete. Water (100 mL) is added to obtain clear orange solution. Solution is concentrated under vacuum until crystallization occurs. To obtained suspension 750 mL of saturated Na
Computed Properties
Molecular Weight:283.10
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:281.98040
Monoisotopic Mass:281.98040
Topological Polar Surface Area:44.9
Heavy Atom Count:16
Complexity:314
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-bromo-8-fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one
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