1017273-31-2|Methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-5-carboxylate| Ambeed

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CAS No. :	1017273-31-2
Formula :	C₁₀H₉NO₄
M.W :	207.18
SMILES Code :	O=C(C1=C(N2)C(OCC2=O)=CC=C1)OC
MDL No. :	MFCD11878412

Yield	Reaction Conditions	Operation in experiment
81%	With triethylamine; In acetonitrile; at 0 - 20℃;	To a mixture of compound B-257 (7.0 g, 42 mmol) and triethylamine (13 g, 0.13 mol) in acetonitrile (70 mL) was added 2-chloroacetyl chloride (4.7 g, 42 mmol) dropwise at 0 C. The reaction was allowed to warm to room temperature and was stirred at this temperature for 6 hours. On completion, the reaction mixture was concentrated in vacuo and purified by silica gel chromatography [petroleum ether: ethyl acetate = 5: 1] to give compound B-258 (7.0 g, 81 % yield) as a brown solid.
		At RT chloro-acetyl chloride (8.06 mmol) is added dropwise to a solution of 2-amino-3- hydroxy-benzoic acid methyl ester (7.33 mmol) in DMF (50 mL). After 20 min K2CO3 (34.9 mmol) is added portionwise, the mixture is stirred for 16h at RT and the solvents are removed in vacuo. Water and DCM are added, the layers are separated and the organic layer is washed with brine and dried over Na2SO4. The solvents are removed in vacuo to give a crude product which is purified by CC (heptane to heptane/EtOAc 6/4). LC-MS: tR = 0.82 min; [M+CH3CN+H]+ = 249.0.
		At RT chloro-acetyl chloride (8.06 mmol) is added dropwise to a solution of 2-amino- 3 -hydroxy-benzoic acid methyl ester (7.33 mmol) in DMF (50 mL). After 20 min K2CO3 (34.9 mmol) is added portionwise, the mixture is stirred for 16h at RT and the solvents are removed in vacuo. Water and DCM are added, the layers are separated and the organic layer is washed with brine and dried over Na2SO4. The solvents are removed in vacuo to give a crude product which is purified by FC (heptane to heptane/EtOAc 6/4). LC-MS: tR = 0.82 min; [M+CH3CN+H]+ = 249.0.

		At RT chloro-acetyl chloride (8.06 mmol) is added dropwise to a solution of <strong>[17672-21-8]2-amino-3-hydroxy-benzoic acid methyl ester</strong> (7.33 mmol) in DMF (50 mL). After 20 min K2CO3 (34.9 mmol) is added portionwise, the mixture is stirred for 16 h at RT and the solvents are removed in vacuo. Water and DCM are added, the layers are separated and the organic layer is washed with brine and dried over Na2SO4. The solvents are removed in vacuo to give a crude product which is purified by CC (heptane to heptane/EtOAc 6/4). LC-MS: tR=0.82 min; [M+CH3CN+H]+=249.0.
	With potassium carbonate; In 1,1-dichloroethane; water; at 70℃;	To a mixture of <strong>[17672-21-8]methyl 2-amino-3-hydroxybenzoate</strong> (2.5 g), potassium carbonate (4.6 g), dichloroethane (20 mL), and water (20 mL) was added chloroacetyl chloride (1.3 mL), followed by stirring at 70C overnight. The reaction mixture was left to be cooled, followed by addition of chloroform (40 mL) and water (40 mL), and the separated organic layer was washed with 1 M hydrochloric acid, a saturated sodium bicarbonate solution, and saturated saline in this order, dried over magnesium sulfate, and then concentrated under reduced pressure. The residue was recrystallized with ethyl acetate (2 mL) to obtain methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylate (746 mg) as a pale red crystal.
	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃;	A.2.2 Synthesis of 3-oxo-3,4-dihydro-2H-benzo[l,4]oxazine-5-carboxylic acid methyl ester; At rt chloro-acetyl chloride (8.06 mmol) is added dropwise to a solution of 2-amino-3- hydroxy-benzoic acid methyl ester (7.33 mmol) in DMF (50 mL). After 20 min K2CO3 (34.9 mmol) is added portionwise, the mixture is stirred for 16h at rt and the solvents are removed in vacuo. Water and DCM are added, the layers are separated and the organic layer is washed with brine and dried over Na2SO4. The solvents are removed in vacuo to <n="59"/>give a crude product which is purified by flash chromatography (gradient: heptane to heptane/EtOAc 6/4). LC-MS: tR = 0.82 min; [M+CH3CN+H]+ = 249.0.

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CAS No.: 1017273-31-2

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CAS No.: 1017273-31-2

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[ 1017273-31-2 ] Synthesis Path-Downstream 1~2

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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