1201939-89-0|4-((6,7-Dimethoxyquinazolin-4-yl)oxy)-3-fluoroaniline| Ambeed

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CAS No. :	1201939-89-0
Formula :	C₁₆H₁₄FN₃O₃
M.W :	315.30
SMILES Code :	NC1=CC=C(OC2=C(C=C(OC)C(OC)=C3)C3=NC=N2)C(F)=C1
MDL No. :	N/A

Yield	Reaction Conditions	Operation in experiment
65%	With sodium hydride; In dimethyl sulfoxide; at 80℃; for 1h;Inert atmosphere;	Sodium hydride (60 mg, 2.5 mmol) was added to a mixture of 4-amino-2-fluorophenol (200mg, 1.6 mmol) and <strong>[13790-39-1]4-chloro-6,7-dimethoxyquinazoline</strong> (424 mg, 1.9 mmol) in DMSO (8 mL)under nitrogen. The resulting mixture was stirred at 80C for 1 hour, then concentrated. The5 crude product was purified by flash silica chromatography, elution gradient 1 to 10% methanolin DCM. Pure fractions were evaporated to dryness to afford the title compound as a black oil(320 mg, 65%). 1H NMR (DMSO-d6, 300 MHz) 8 3.99 (6H, d), 5.42 (2H, s), 6.33- 6.57 (2H,m), 7.06 (lH, t), 7.40 (lH, s), 7.54 (lH, s), 8.56 (lH, s); m/z: ES+ [M+H]+ 316.
64%		To a solution of 4-amino-2-fluorophenol (17.8 g, 140 mmol, 1.4 eq) in DMF (200 mL) was added NaH (10 g, 250 mmol, 2.5 eq) at 0 C. The reaction was stirred at rt for 30 min and <strong>[13790-39-1]4-chloro-6,7-dimethoxyquinazoline</strong> (22.4 g, 100 mmol, 1.0 eq) was added to the mixture under stirring. The reaction solution was warmed to 90 C and stirred overnight. After cooling to room temperature, the reaction was quenched with saturated aqueous NH4Cl. The mixture was extracted with ethyl acetate (3×250 mL) twice. The combined organic layer was washed with brine (2×150 mL), dried over Na2SO4, concentrated in vacuo and further purified by flash chromatography on silica gel to get the product as a solid. (20.2 g, 64%). 1H NMR (400 MHz, d6-DMSO) δ 8.54 (s, 1H), 7.53 (s, 1H), 7.38 (s, 1H), 7.04 (t, J = 8.8 Hz, 1H), 6.50 (dd, J1 = 2.4 Hz, J2 = 12.8 Hz, 1H), 6.42 (dd, J1 = 2.0 Hz, J2 = 8.4 Hz, 1H), 5.38 (s, 2H), 3.98 (s, 3H) , 3.97 (s, 3H). HRMS (ESI) for C16H14FN3O3 [M+H]+, calcd: 316.1044, found: 316.1045.
9.1 g	With N-ethyl-N,N-diisopropylamine; In ethyl acetate; at 20 - 60℃; for 2h;	(1)Add 4-amino-2-fluorophenol (6.5g, 51mmol) to 100mLEthyl acetate,After stirring at room temperature, diisopropylethylamine (19.4 g, 150 mmol) was added.At the same time, the temperature is raised to 60 C, and <strong>[13790-39-1]4-chloro-6,7-dimethoxyquinazoline</strong> is added.(13.5 g, 60 mmol) of an ethyl acetate solution was slowly added to the above reaction solution.Stop the reaction after 2 hours.Extract twice with water, dry the ethyl acetate layer with anhydrous magnesium sulfate and spin dry4-(6,7-dimethoxyquinazolin-4-yloxy)-3-fluoroaniline(9.1g, 29mmol);

	With potassium tert-butylate; In N,N-dimethyl-formamide; at 100℃; for 12h;	General procedure: To a mixture of 1a (153 mg, 1 mmol, 1.0 eq), 4-amino-2-fluorophenol (127 mg ,1 mmol,1.0 eq), t-BuOK (336 mg, 3 mmol, 3.0 eq) in anhydrous DMF (5 mL). After stirring for 12 h at 100 C, then it was dilute of water (100 mL). The aqueous phase was extracted with ethyl acetate and dried over Na2SO4. The residue was purified using silica gel chromatography to give the intermediate 2a as a yellow solid (126.9 mg, 52% yield).
	With caesium carbonate; In N,N-dimethyl-formamide; at 80℃; for 0.333333h;	A mixture of 4-chloro-6,7- dimethoxyquinazoline (225 mg, 1 mmol), 4-amino-2-fluorophenol (150 mg, 1.09 mmol) and Cs2CO3(500 mg, 1.52 mmol) in DMF (2 mL) was stirred at 80 C for 20 min and then cooled to room temperature. Water was added and the resulting suspension was filtered. The collected solid was washed with water and dried to give crude Compound QA2-1 (336 mg). MS for C16H14FN3O3: m/z 316 (MH+).

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CAS No.: 1201939-89-0

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CAS No.: 1201939-89-0

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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