59899-89-7|Methyl 2-(benzo[d]isoxazol-3-yl)acetate| Ambeed

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CAS No. :	59899-89-7
Formula :	C₁₀H₉NO₃
M.W :	191.18
SMILES Code :	O=C(OC)CC1=NOC2=CC=CC=C12
MDL No. :	MFCD04117784

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In methanol; at 20℃;	To a solution of intermediate 38 (20 g, 113 mnmol) in MeOH (100 ml) was added HCI/MeOH (4 M, 100 ml), then stirred at room temperature overnight. The mixture was concentrated in vacuum. To the residue was added water (500 ml), then extracted with EtOAc (200 ml 4). The combined organic phases were washed with brine, dried over Na2SO4 and concentrated in vacuum to give the crude intermediate 39 (21 g) as brown solid, which was used directly for the next step without purification.
	With hydrogenchloride; at 20℃;	j0368j To a solution of intermediate 38 (20 g, 113 mmol) in MeOH (100 mL) was added HC1/MeOH (4 M, 100 mL), then stirred at room temperature overnight. The mixture was concentrated in vacuum. To the residue was added water (500 mL), then extracted with EtOAc (200 mL x4) The combined organic phases were washed with brine, dried over Na2SO4 and concentrated in vacuum to give the crude intermediate 39 (21 g) as brown solid, which was used directly for the next step without purification.

Yield	Reaction Conditions	Operation in experiment
99%	In methanol; dichloromethane; at 0℃; for 1h;	Trimethylsilydiazomethane (9.7 mL, 19.40 mmol) is added dropwise to <strong>[4865-84-3]benzo[d]isoxazol-3-yl-acetic acid</strong> (3.3 g, 17.64 mmol) in DCM/MeOH 11:1(22 mLI2 mL) at 0C and stirring is continued for 1 h at 0CC. Volatiles are evaporated to give the title compound (3.3 g, 99%)U PLC-MS (Method 2): R = 0.88 mmMS (ESI pos): mlz = 192 (M+H)
99%	In methanol; dichloromethane; at 0℃; for 1h;	Trimethylsilydiazomethane (9.7 mL, 19.40 mmol) is added dropwise to <strong>[4865-84-3]benzo[d]isoxazol-3-yl-acetic acid</strong> (3.3 g, 17.64 mmol) in DCM/MeOH 11:1 (22 mL/2 mL) at 0 C. and stirring is continued for 1 h at 0 C. Volatiles are evaporated to give the title compound (3.3 g, 99%) [0864] UPLC-MS (Method 2): Rt=0.88 min [0865] MS (ESI pos): m/z=192 (M+H)+

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P285	In case of inadequate ventilation wear respiratory protection.
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Response
Code	Phrase
P301	IF SWALLOWED:
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P320
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P321
P322
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P378
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P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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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.
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P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
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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P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
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P401
P402	Store in a dry place.
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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.: 59899-89-7

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CAS No.: 59899-89-7

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[ 59899-89-7 ] Synthesis Path-Downstream 1~5

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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