36020-53-8|5-Methoxy-8-nitroquinoline| Ambeed

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CAS No. :	36020-53-8
Formula :	C₁₀H₈N₂O₃
M.W :	204.18
SMILES Code :	O=[N+](C1=C2N=CC=CC2=C(OC)C=C1)[O-]
MDL No. :	MFCD09050049

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302+H312+H332-H315-H319
Precautionary Statements:	P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312

Yield	Reaction Conditions	Operation in experiment
93%	In methanol; at 81℃; for 2.0h;	General Procedure 21: 5-Methoxy-8-nitroquinoline (Intermediate 66)Sodium methoxide (571 mg, 1.05 mmol) was added to a solution of <strong>[6942-98-9]5-chloro-8-nitroquinoline</strong> (Intermediate 65) (550 mg, 2.64 mmol) in MeOH (15 ml) and heated to 81 C. for 2 h. After cooling, the mixture was concentrated in vacuo, water was added and the mixture was extracted with DCM. The organic phase was dried (Na2SO4) and concentrated in vacuo gave the title compound (500 mg, 93%). The structure was confirmed by 1H NMR.
93%	In methanol; at 80℃; for 2.0h;	General Procedure 142: 5-methoxy-8-nitroquinoline (Intermediate 585)NaOMe (570 mg, 10.5 mmol) was added to a solution of <strong>[6942-98-9]5-chloro-8-nitroquinoline</strong> 27 (550 mg, 2.64 mmol) in MeOH (15 ml) and the mixture was heated at 80 C. for 2 h. The solvent was removed in vacuo and the residue was diluted with water and the aqueous phase was extracted with DCM. The organic phase was washed with brine and concentrated in vacuo to give the title compound (500 mg, 93%) which was used in the next step without further purification.MW: 204.19HPLCMS (Method C): [m/z]: 205
83%	In methanol; at 100℃; for 0.166667h;Micrwave irradiation;	2. Synthesis of 5-methoxy-8-nitro-quinoline (44); A mixture of sodium methoxide (7.3 g, 135.7 mmol) and <strong>[6942-98-9]5-chloro-8-nitroquinoline</strong> 43 (6.7 g , 32.2 mmol), in anhydrous MeOH (80 ml), was heated in a microwave oven (power: 250W, ramp time: 5 minutes) at 1000C for 10 minutes. The solvent was partially evaporated and CH2CI2 and water were added. The organic layer was collected and washed with water and brine, dried (Na2SO4) and evaporated. The residue was treated with MeOH/hexane (3:50) to afford 5- methoxy-8-nitroquinoline 44 (5.8 g, 83%) as a brown solid.1H-NMR (400 MHz, CDCI3, ppm): 9.08 (H-2, dd, 1 H, J=1.8 and 4.2 Hz), 8.63 (H-4, dd, 1 H, J=1.8 and 8.6 Hz), 8.19 (H-7, d, 1 H, J=8.6 Hz), 7.51 (H-3, dd, 1 H, J=4.2 and 8.6 Hz), 6.84 (H-6, d, 1 H, J=8.6 Hz), 4.09 (OCH3, s, 3H).

Yield	Reaction Conditions	Operation in experiment
83%	With palladium on activated charcoal; hydrogen; In ethanol; at 20℃; for 6h;Inert atmosphere;	first, 5-methoxy-8-nitroquinoline (0.4 g, 2.33 mmol) was added to a two-neck eggplant flask and the mixture was made under nitrogen, and 50 ml of dehydrated ethanol was added to it. Palladium on carbon (0.04 g) was added under hydrogen and stirred at ambient temperature. After 6 hours, filtration was carried out using Celite, and the filtrate was concentrated with an evaporator to obtain a yellow solid was 0.333 g in a yield of 83%
53%	With tin(II) chloride dihdyrate; In ethanol;Reflux;	3. Synthesis of 5-methoxy-quinolin-8-ylamine (45); A suspension of 5-methoxy-8-nitroquinoline 44 (5.8 g, 28.5 mmol) and SnCI2.2H2O (19.3 g, 85.6 mmol) in ethanol (120 ml_) was heated to reflux for 1 hour. The reaction mixture was diluted with ethyl acetate and treated with 10% NaOH up to pH 11. The organic layer was separated, washed with brine, dried (Na2SO4), filtered and evaporated. The residue was purified by flash chromatography (SiO2, ethyl acetate/hexane, 0-40%) to obtain the final amine 45 (2.7 g, 53%) as a brown solid. 1H-NMR (400 MHz, CDCI3, ppm): 8.79 (H-2, dd, 1 H, J=1.7 and 4.2 Hz), 8.51 (H-4, dd, 1 H, J=1.7 and 8.5 Hz), 7.38 (H-3, dd, 1 H, J=4.2 and 8.5 Hz), 6.89 (H-7, d, 1 H, J=8.2 Hz), 6.73 (H-6, d, 1 H, J=8.2 Hz), 3.95 (OCH3, s, 3H).

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CAS No.: 36020-53-8

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CAS No.: 36020-53-8

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Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
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Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
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P233	Keep container tightly closed.
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P272	Contaminated work clothing should not be allowed out of the workplace.
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Code	Phrase
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P320
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P321
P322
P330	Rinse mouth.
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P342	If experiencing respiratory symptoms:
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P378
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P391	Collect spillage. Hazardous to the aquatic environment
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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
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P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
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P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
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.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
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P401
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Disposal
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Physical hazards
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
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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
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H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
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