1257554-00-9|6-Bromo-3-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine| Ambeed

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CAS No. :	1257554-00-9
Formula :	C₆H₅BrN₄
M.W :	213.03
SMILES Code :	CN1N=NC2=CC(Br)=CN=C21
MDL No. :	MFCD22628169

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Yield	Reaction Conditions	Operation in experiment
91%	With sulfuric acid; sodium nitrite; at 20℃; for 1h;	6-Bromo-3-methyl-3H-[1,2,3]triazolo[4,5-b]pyridineTo a solution of <strong>[89415-54-3]5-bromo-N2-methylpyridine-2,3-diamine</strong> (720 mg, 3.56 mmol) inH2S04(1.90 muIota_, 35.6 mmol) at RT, NaN02(246 mg, 3.56 mmol) was added. The reaction mixture was stirred for 1 h after which time water was added to quench the reaction. EtOAc was added, and the layers were separated. The aqueous layer was extracted once with EtOAc, and the combined organic layers were washed once with brine. The organic layer was concentrated to give 694 mg (91 %) of the title compound. LC-MS m/z 212.8, 214.8 (M+H)+, 0.66 (ret. time).
		To a solution of 5-brom?-N2-methyl-pyridine-2,3-diamine (Stage 67.1.4, 1 2 g, 5.94 mmol) in 2 M aqueous HCI (70 ml) cooled with an ice-bath was added a solution of sodium nitrite (Fluka, Buchs, Switzerland, 492 mg, 7 13 mmol) in water (10 ml) The reaction mixture was stirred at 0C for 1 h and at rt for 75 mm then basifed with 2 M aqueous NaOH (75 ml) and extracted with EtOAc The organic layer was washed with brine, dried over NaaSO,., filtered and evaprated The crude product was dry loaded on silica gel and purified by MPLC (heptane/EtOAc 0% - 30%) to give the title compound as a blue solid (HPLC tR 2 46 min (Method A), M+H = 213, 215 MS-ES),

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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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Disposal
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P501	Dispose of contents/container to ...
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CAS No.: 1257554-00-9

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CAS No.: 1257554-00-9

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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
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed