1594129-68-6|N-((S)-1-(4-((R)-Pyrrolidin-3-yloxy)phenyl)ethyl)acetamide hydrochloride| Ambeed

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CAS No. :	1594129-68-6
Formula :	C₁₄H₂₁ClN₂O₂
M.W :	284.78
SMILES Code :	CC(N[C@H](C1=CC=C(O[C@H]2CNCC2)C=C1)C)=O.[H]Cl
MDL No. :	MFCD30185789

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 150℃; for 6h;Microwave irradiation;	600 mg (2.11 mmol) of example VII.1, 275 mg (2.11 mmol) <strong>[4983-28-2]2-chloro-5-hydroxypyrimidine</strong> and 1.12 mL (6.53 mmol) DIPEA in 8 mL NMP are stirred at 150° C. for 6 h in a microwave oven. Afterwards the reaction mixture is directly purified by HPLC (MeOH/H2O/NH3).C18H22N4O3 (M=342.4 g/mol)ESI-MS: 343 [M+H]+Rt (HPLC): 1.04 min (method J)
	With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 150℃; for 6h;Microwave irradiation;	Example XXII.1 (general route) N-((S)-1-(4-((R)-1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yloxy)phenyl)ethyl) cetamide 600 mg (2.11 mmol) of example VII.1 , 275 mg (2.11 mmol) 2-chloro-5- hydroxypyrimidine and 1 .12 mL (6.53 mmol) DIPEA in 8 mL NMP are stirred at 150 °C for 6 h in a microwave oven. Afterwards the reaction mixture is directly purified by HPLC (MeOH/H20/NH3). ESI-MS: 343 [M+H]+ Rt (HPLC):1.04 min (method J)

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In dichloromethane; at 0℃; for 1h;	1.00 g (3.51 mmol) of example VII.1, 0.52 g (3.51 mmol) 2,4-dichloropyrimidine and 0.99 mL (7.02 mmol) TEA are added to 10 mL THF and stirred at 80° C. for 2 h. The reaction mixture is diluted with diethylether. The precipitate is filtered and dried.For example XVI.8 DCM is used as solvent and the reaction conditions are 0° C. for 1 h.
	With triethylamine; In dichloromethane; at 0℃; for 1h;	Example XVI Example XVI .1 (general route) N- S)-1-(4-((R)-1 -(2-chloropyrimidin-4-yl)pyrrolidin-3-yloxy)phenyl)ethyl)acetam 1.00 g (3.51 mmol) of example VII.1 , 0.52 g (3.51 mmol) 2,4-dichloropyrimidine and 0.99 mL (7.02 mmol) TEA are added to 10 mL THF and stirred at 80 °C for 2 h. The reaction mixture is diluted with diethylether. The precipitate is filtered and dried. ESI-MS: 361 [M+H]+ Rt (HPLC):1.06 min (method G) For example XVI.8 DCM is used as solvent and the reaction conditions are 0 °C for 1 h.

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CAS No.: 1594129-68-6

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CAS No.: 1594129-68-6

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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