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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 structure

CAS No:
283173-80-8
Formula:
C11H8BrFN2O
Chemical Name:
2-bromo-8-fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one
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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2-bromo-8-fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one Basic Attributes

Molecular Weight：

283.0964232

Exact Mass：

281.980408

EC Number：

1592732-453-0

Characteristics

PSA：

44.9

XLogP3：

2.5

Density：

1.8±0.1 g/cm3

Boiling Point：

571.4±50.0°C at 760 mmHg

Flash Point：

299.4±30.1 °C

Refractive Index：

1.691

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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Guide of 2-bromo-8-fluoro-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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Latest News
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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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