186204-66-0|2-((Difluoromethyl)sulfonyl)benzo[d]thiazole| Ambeed

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CAS No. :	186204-66-0
Formula :	C₈H₅F₂NO₂S₂
M.W :	249.26
SMILES Code :	O=S(C1=NC2=CC=CC=C2S1)(C(F)F)=O
MDL No. :	MFCD01831028
InChI Key :	SHKGYNFSRWBSDZ-UHFFFAOYSA-N
Pubchem ID :	3653678

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H315-H319
Precautionary Statements:	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Yield	Reaction Conditions	Operation in experiment
83%	With hexaammonium heptamolybdate tetrahydrate; dihydrogen peroxide; In ethanol; at 20℃; for 42h;	A mixture of 7.18 g (33.05 mmol) of 2-[(difluoromethyl)sulfanyl]-1,3-benzothiazole, 2.04 g (1.65 mmol) of ammonium molybdate (NH4)6Mo7O24 x 4 H2O, 33.0 mL of ethanol, and 12.8 mL (132 mmol) of 30% H2O2 was stirred for 24 h at room temperature. An additional 3.5 mL of 30% H2O2 was added, the mixture was stirred for 18 h and diluted with 300 mL of water, and the precipitate was filtered off, washed with 500 mL of water, and dried at 120-130C. Yield 6.80 g (83%), white needles, mp 155-158C (from EtOAc); published data: mp 133-135C [11], 149C [12]. 1H NMR spectrum (CDCl3), δ, ppm: 6.60 t (1H, JHF = 53.1 Hz), 7.66 m (1H), 7.72 m (1H), 8.08 m (1H), 8.33 m (1H). 13C NMR spectrum (CDCl3), δC, ppm: 114.50 t (JCF = 288.1 Hz), 122.38, 126.25, 128.26, 129.07, 137.85, 153.01, 158.90. 19F NMR spectrum (CDCl3): δF -121.41 ppm.
	With sodium periodate; rhodium(III) chloride hydrate; In tetrachloromethane; water; acetonitrile; at 20℃; for 48h;	in a round bottom flask, add B in order.Acetonitrile,Carbon tetrachloride,Water and hydrated barium chloride.Place it on a stirrer and stir it vigorously.Then add 2.5 equivalents of sodium periodate to it,Finally let it continue to react at room temperature for 48 h.After treatment: saturated sodium bicarbonate solution and the reaction solution,filter,The filter residue was washed with ethyl acetate,The filtrate was extracted three times with ethyl acetate.After the organic phases are combined, they are dried over anhydrous magnesium sulfate.Spin-dry the solvent to give the desired product as a white solid.
	With sodium periodate; ruthenium(III) chloride trihydrate; In tetrachloromethane; water; acetonitrile; at 25℃; for 0.5h;Inert atmosphere;	Step 2: To a solution of 2-((difluoromethyl)thio)benzo[rfjthiazole (11.1 g, 51 mmol) in a mixture of ACN / CC / water (v : v : v :::: 1 : 1 : 2, 222 mL) were added sodium periodate (34.2 g , 160 mmol) and ruthenium(III) chloride trihydrate (33 mg, 0.13 mmol) portion wise. The resulting solution was stirred at room temperature for 3 h. The mixture was diluted with water (800 ml) and extracted with DCM (1500 mL). The organic phase w?as washed with brine (800 mL), dried over anhydrous sodium sulfate, and filtered. The filtrate was concentrated under reduced pressure, and the residue was purified by column chromatography on silica (0-20% ethyl acetate/DCM) to give 2-((difluoromethyl)suifonyl)benzo[

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CAS No.: 186204-66-0

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CAS No.: 186204-66-0

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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