1453211-61-4|2-Chloro-5-((2,6-difluoro-3,5-dimethoxybenzyl)oxy)pyrimidine| Ambeed

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CAS No. :	1453211-61-4
Formula :	C₁₃H₁₁ClF₂N₂O₃
M.W :	316.69
SMILES Code :	COC1=CC(OC)=C(F)C(COC2=CN=C(Cl)N=C2)=C1F

Yield	Reaction Conditions	Operation in experiment
8.53 g	With potassium carbonate; In N,N-dimethyl-formamide; at 60℃; for 1h;	Preparation Example 19 To a mixture of <strong>[4983-28-2]2-chloro-5-hydroxypyrimidine</strong> (4.38 g), potassium carbonate (9.27 g), and N,N-dimethylformamide (79 mL), 2,6-difluoro-3,5-dimethoxybenzyl methanesulfonate (7.89 g) was added followed by stirring at 60 C. for 1 hour. To the reaction mixture, water was added, and the resulting solid was collected by filtration, washed with water, and then dried under reduced pressure to give 2-chloro-5-[(2,6-difluoro-3,5-dimethoxybenzyl)oxy]pyrimidine (8.53 g).
8.53 g	With potassium carbonate; In N,N-dimethyl-formamide; at 60℃; for 1h;	(4) To a mixture of <strong>[4983-28-2]2-chloro-5-hydroxypyrimidine</strong> (4.38 g), 2,6-difluoro-3,5-dimethoxybenzylmethanesulfonate (7.89 g), and N,N-dimethylformamide (78.9 mL) was added potassium carbonate (9.27 g), followed by stirring at 60 C. for 1 hour. To the reaction mixture was added water, followed by stirring for 30 minutes under ice-cooling. The resulting solid was collected by filtration, washed with water, and then dried under reduced pressure to obtain 2-chloro-5-[(2,6-difluoro-3,5-dimethoxybenzyl)oxy]pyrimidine (8.53 g). MS (APCl/ESI+): 317 [(M+H)+].
8.53 g	With potassium carbonate; In N,N-dimethyl-formamide; at 60℃; for 1h;	(4) To a mixture of <strong>[4983-28-2]2-chloro-5-hydroxypyrimidine</strong> (4.38 g), potassium carbonate (9.27 g), and N,N-dimethylformamide (79 mL), 2,6-difluoro-3,5-dimethoxybenzyl methanesulfonate (7.89 g) was added, followed by stirring at 60 C. for 1 hour. To the reaction mixture was added water. The generated solid was collected by filtration, washed with water, and then dried under reduced pressure to obtain 2-chloro-5-[(2,6-difluoro-3,5-dimethoxybenzyl)oxy]pyrimidine (8.53 g).

	With caesium carbonate; In acetonitrile; for 2h;Inert atmosphere; Reflux;	A mixture of (2,6-difluoro-3,5-dimethoxy-phenyl)methyl methanesulfonate (440 mg, 1.56 mmol, 1.00 eq) , <strong>[4983-28-2]2-chloropyrimidin-5-ol</strong> (203 mg, 1.56 mmol, 1.00 eq) and Cs2CO3 (762 mg, 2.34 mmol, 1.50 eq) in CH3CN (8.0 mL) was heated to reflux for 2 hours. LC-MS showed reaction was complete. The reaction mixture was quenched by addition of water (5 mL) at 0 C, and then extracted with ethyl acetate (10 mL × 2). The combined organic layers were washed with brine (10 mL), dried over Na2SO4, filtered and concentrated under reduced pressure to give a residue. The residue was purified by flash silica gel chromatography (ISCO;12 g SepaFlash Silica Flash Column, Eluent of 0~20% Ethyl acetate/Petroleum ethergradient 30 mL/min). Compound 2-chloro-5-[(2,6-difluoro-3,5-dimethoxy-phenyl)methoxy]pyrimidine (188 mg, 528 umol, 34% yield, 89% purity) was obtained as a white solid. LCMS (ESI) m/z: 316.9, 318.9 [M+H]+.
188 mg	With caesium carbonate; In acetonitrile; for 2h;Reflux;	To a solution of the crude control example 6C (440 mg, 1.56 mmol) and 2-chloro-5-hydroxypyridine (203.48mg, 1.56 mmol) in CH3CN (8.00 ml) was added CS2CO3 (762.42 mg, 2.34 mmol) as a solid, then the reaction solutionwas heated to reflux and stirred for 2 hours. LCMS showed that the raw materials have been converted completely, with products being generated. When the reaction solution was cooled to room temperature, the reaction was quenched with(5 ml), partitioned, and the aqueous phase was extracted with ethyl acetate (2310 ml). The organic phases werecombined and washed with saturated saline (10 ml), dried over anhydrous sodium sulfate, and filtered. The filtrate wasconcentrated at reduced pressure to give a crude product, which was purified over a flash silica gel column (mobilephase: 0?20% ethyl acetate/petroleum ether) to give a white solid compound control example 6D (188.00 mg, yield:33.87%). LCMS (ESI) m/z: 316.9, 318.9[M+1]+

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CAS No.: 1453211-61-4

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CAS No.: 1453211-61-4

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[ 1453211-61-4 ] Synthesis Path-Downstream 1~3

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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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H301	Toxic if swallowed
H302	Harmful if swallowed
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