394248-99-8| tert-Butyl 4-(2-methoxy-4-nitrophenyl)piperazine-1-carboxylate| Ambeed

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CAS No. :	394248-99-8
Formula :	C₁₆H₂₃N₃O₅
M.W :	337.37
SMILES Code :	O=C(N1CCN(C2=CC=C([N+]([O-])=O)C=C2OC)CC1)OC(C)(C)C
MDL No. :	MFCD29923758

GHS Pictogram:
Signal Word:	N/A
Hazard Statements:	N/A
Precautionary Statements:	N/A

Yield	Reaction Conditions	Operation in experiment
88.83%	With potassium carbonate; In dimethyl sulfoxide; at 90℃; for 12h;	To a stirred solution of 538 <strong>[454-16-0]1-fluoro-2-methoxy-4-nitrobenzene</strong> (1.0 g, 5.843 mmol, 1.0 eq) and 539 tert-butyl 4-bromo-3,6-dihydropyridine-1(2H)-carboxylate (1.2 g, 6.427 mmol, 1.1 eq) in 95 DMSO (20 mL) was added 64 K2CO3 (2.43 g, 17.53 mmol, 3.0 eq) at rt. The resulting mixture was stirred at 90 C. for 12 h. The progress of reaction was monitored by LCMS. The reaction mixture was poured into ice cold 7 water (100 mL), stirred for 5 min, formation of precipitates was observed, which was filtered and dried under vacuum to afford the desired compound 540 tert-butyl 4-(2-methoxy-4-nitrophenyl)piperazine-1-carboxylate (1.75 g, 88.83%) as a yellow solid. (0576) LCMS: 338.2 [M+1]+
	With potassium carbonate; In dimethyl sulfoxide; at 0 - 80℃; for 8h;	General procedure: To a solution of 1-fluoro-4-nitrobenzene (5 g, 35.5 mmol) in DMSO(100 mL) was added K2CO3 (14.6 g, 106.4 mmol) at room temperature.And a solution of tert-butyl piperazine-1-carboxylate (3.5 g, 35.5 mmol)in DMSO (50 mL) was added dropwise to the mixture at 0 °C. The reactionmixture was stirred at 80 °C for 8 h. Water (500 mL) was added toquench the reaction. The precipitated solid was collected on a filter anddried under reduced pressure to give 1a (8.0 g, yield 73.5percent) withoutfurther purification. MS m/z: 308.2 [M+H]+. The crude product wasdelivered directly to the next step.

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CAS No.: 394248-99-8

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CAS No.: 394248-99-8

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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
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H281	Contains refrigerated gas; may cause cryogenic burns or injury
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Health hazards
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H301	Toxic if swallowed
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