943323-63-5|4-Bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine| Ambeed

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CAS No. :	943323-63-5
Formula :	C₇H₄BrN₃O₂
M.W :	242.03
SMILES Code :	O=[N+](C1=CNC2=NC=CC(Br)=C21)[O-]
MDL No. :	MFCD09880124

Yield	Reaction Conditions	Operation in experiment
52.5%	With tin(II) chloride dihdyrate; hydrogen bromide In water at 70℃; for 1 h;	4-Bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine (500mg, 2.07mmol) was heated in 48percent aqueous hydrobromic acid (4mL) at 70°C and then tin (II) chloride dihydrate(2.26g, 10mmol) was added in portions. After addition the reaction was heated at 70°C for a further 1 hour and then cooled before carefully adding to stirring ice/H20 (l5mL). This solution was basified to pH 12 using sodium hydroxidesolution, and the insoluble material separated via filtration. The filtrate wasextracted with DCM (3xlOOmL) and the combined extracts were washed with H2O and saturated aqueous sodium chloride, dried (Mg504) and concentrated in vacuo. This afforded the desired compound, 230mg, 52.5percent, which was used without further purification.
52.5%	With tin(II) chloride dihdyrate; hydrogen bromide In water at 70℃; for 1 h;	4-Bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine (500 mg, 2.07 mmol) was heated in 48percent aqueous hydrobromic acid (4 mL) at 70° C. and then tin (II) chloride dihydrate (2.26 g, 10 mmol) was added in portions. After addition the reaction was heated at 70° C. for a further 1 hour and then cooled before carefully adding to stirring ice/H₂O (15 mL). This solution was basified to pH12 using sodium hydroxide solution, and the insoluble material separated via filtration. The filtrate was extracted with DCM (3*100 mL) and the combined extracts were washed with H₂O and saturated aqueous sodium chloride, dried (MgSO₄) and concentrated in vacuo. This afforded the desired compound, 230 mg, 52.5percent, which was used without further purification.

Yield	Reaction Conditions	Operation in experiment
52.5%	With tin(II) chloride dihdyrate; hydrogen bromide; In water; at 70.0℃; for 1.0h;	4-Bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine (500mg, 2.07mmol) was heated in 48% aqueous hydrobromic acid (4mL) at 70C and then tin (II) chloride dihydrate(2.26g, 10mmol) was added in portions. After addition the reaction was heated at 70C for a further 1 hour and then cooled before carefully adding to stirring ice/H20 (l5mL). This solution was basified to pH 12 using sodium hydroxidesolution, and the insoluble material separated via filtration. The filtrate wasextracted with DCM (3xlOOmL) and the combined extracts were washed with H2O and saturated aqueous sodium chloride, dried (Mg504) and concentrated in vacuo. This afforded the desired compound, 230mg, 52.5%, which was used without further purification.
52.5%	With tin(II) chloride dihdyrate; hydrogen bromide; In water; at 70.0℃; for 1.0h;	4-Bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine (500 mg, 2.07 mmol) was heated in 48% aqueous hydrobromic acid (4 mL) at 70 C. and then tin (II) chloride dihydrate (2.26 g, 10 mmol) was added in portions. After addition the reaction was heated at 70 C. for a further 1 hour and then cooled before carefully adding to stirring ice/H2O (15 mL). This solution was basified to pH12 using sodium hydroxide solution, and the insoluble material separated via filtration. The filtrate was extracted with DCM (3*100 mL) and the combined extracts were washed with H2O and saturated aqueous sodium chloride, dried (MgSO4) and concentrated in vacuo. This afforded the desired compound, 230 mg, 52.5%, which was used without further purification.
	With hydrogen bromide; tin(ll) chloride; In water; at 70.0℃; for 1.0h;pH ~ 12;	SnCI2 (4.4 g, 23.0 mmol) was added portion-wise to a 70 0C solution of 4- bromo-3-nitro-1 H-pyrrolo[2,3-b]pyridine (1 g, 4.12 mmol) in cone. HBr (7 mL). After 1 h, the solution was added over ice and the pH adjusted to -12. The precipitate was filtered and the aqueous residue was washed with excess DCM. The <n="156"/>combined organic fractions were dried over Na2SO4, concentrated and used directly. LC-MS (ES) m/z 213 (M+H)+.

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CAS No.: 943323-63-5

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CAS No.: 943323-63-5

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
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H302	Harmful if swallowed
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