5-Bromo-1H-indole-7-carboxamide
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5-Bromo-1H-indole-7-carboxamide
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CAS No:
860624-91-5
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Formula:
C9H7BrN2O
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Chemical Name:
5-Bromo-1H-indole-7-carboxamide
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Synonyms:
1H-Indole-7-carboxamide,5-bromo-;5-Bromo-1H-indole-7-carboxamide
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CAS No:
5-Bromo-1H-indole-7-carboxamide Use and Manufacturing
Intermediate 7: 5-bromo-1H-indole-7-carboxamide To a solution of 5-bromo-1H-indole-7-carboxylic acid (10.0 g, 42 mmol) in CH2CI2 (100 mL) at room temperature, EDC (9.66 g, 50.4 mmol), HOBt (6.81 g, 50.4 mmol) and NH3 (2.0 M in MeOH, 84 mL, 168 mmol) were added. The reaction mixture was stirred at room temperature for 16 hours. The solvent was evaporated and the residue partitioned between ethyl acetate (100 mL) and water (100 mL). The water layer was extracted with ethyl acetate (100 mLx2) and the combined organic phase was dried over MgS04 and concentrated to give the crude product (10 g, 98percent). This crude product was used directly in the next step without further purification. LC/MS : m/z 240.0 (M+H), 1.95 min.To a solution of 5-bromo-1 /-/-indole-7-carboxylic acid (10.0 g, 42 mmol) in CHTo a solution of 5-bromo-1λ/-indole-7-carboxylic acid (10.0 g, 42 mmol) in CH
Computed Properties
Molecular Weight:239.07
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:237.97418
Monoisotopic Mass:237.97418
Topological Polar Surface Area:58.9
Heavy Atom Count:13
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes