209482-01-9|1-(2-Methoxy-4-nitrophenyl)-4-methylpiperazine| Ambeed

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CAS No. :	209482-01-9
Formula :	C₁₂H₁₇N₃O₃
M.W :	251.28
SMILES Code :	CN1CCN(C2=CC=C([N+]([O-])=O)C=C2OC)CC1
MDL No. :	MFCD13192253

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319
Precautionary Statements:	P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Yield	Reaction Conditions	Operation in experiment
93%	With potassium carbonate; In dimethyl sulfoxide; at 120℃; for 18h;	2-Fluoro-5-nitroanisole (1.0 mmol) and N-methyl-piperazine (1.0 mmol)It was added to a 25 ml dry eggplant-shaped flask and dissolved in 4 ml of dry dimethyl sulfoxide.Potassium carbonate (2.0 mmol) was then added, and the mixture was heated to 120 C for 18 h, and the reaction was completely converted by TLC.Add water after cooling to room temperature.It was extracted three times with ethyl acetate and the organic phases were combined.Wash the organic phase with saturated brine.It was then dried over anhydrous sodium sulfate.Concentrated under reduced pressure to obtain crude product and then purified by column chromatography(dichloromethane: methanol = 100:1 ? dichloromethane: methanol = 50:1),A yellow solid S5 was obtained (yield 93%).
69%	In dimethyl sulfoxide; at 120℃; for 12h;	A mixture of scheme 2 compound 1 (2.00 g, 11.68 mmol) and scheme 2 compound 2 (1.17 g, 11.68 mmol) in dry DMSO (5 mL) was heated to 120 C for 12 h. After TLC showed the starting material was consumed completely, the reaction mixture was diluted with water (20 mL) and extracted with EtOAc (5 x 50 mL). The organic layer was dried over Na2S04, filtered and concentrated to give scheme 2 compound 3 (2.00 g, 69% yield) as a brown solid which was used without further purification. *H NMR (400 MHz, CDCls): delta 7.87 (dd, J= 8.8, 2.6 Hz, 1H), 7.71 (d, J= 2.5 Hz, 1H), 6.90 (d, J= 8.8 Hz, 1H), 3.95 (s, 3H), 3.26 (d, J= 4.9 Hz, 4H), 2.61 (t, J= 4.9 Hz, 4H), 2.37 (s, 3H). MS [ESI, MH+] = 252.13.

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P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
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P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
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P370 + P378	In case of fire:
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P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
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P401
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P411 + P235	Keep cool.
Disposal
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P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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CAS No.: 209482-01-9

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CAS No.: 209482-01-9

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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