6964-29-0|Ethyl 2-(4-bromophenoxy)acetate| Ambeed

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CAS No. :	6964-29-0
Formula :	C₁₀H₁₁BrO₃
M.W :	259.10
SMILES Code :	O=C(OCC)COC1=CC=C(Br)C=C1
MDL No. :	MFCD00462746

Yield	Reaction Conditions	Operation in experiment
73%	With lithium hydroxide monohydrate; water; In tetrahydrofuran; at 0 - 20℃; for 4h;	To a stirred solution of CX (7 g, 27.02 mmol) in THF:H20 (1 : 1, 50 mL) under inert atmosphere was added lithium hydroxide monohydrate (11.3 g, 41.90 mmol) at 0 C. The reaction was warmed to RT for 4 h. After complete consumption of the starting material, the volatiles were evaporated under reduced pressure. The residue was diluted with water (40 mL) and acidified with HC1 to pH~2 and filtered. The obtained solid was triturated with toluene (2x30 mL) to afford CY (4.5 g, 73%) as a white solid. *H NMR (400 MHz, DMSO-i: delta 13.03 (br s, 1H), 7.44 (d, J = 6.8 Hz, 2H), 6.89 (d, J = 6.8 Hz, 2H), 4.66 (s, 2H). MS (ESI): m/z 231 [M+l]+
		Lithium hydroxide monohydrate (2.0 eq.) was added to a solution of (4-bromo-phenoxy)-acetic acid ethyl ester 1 (1.0 eq.) in THF/H2O (1:1), and the mixture was stirred overnight at RT. The reaction mixture was neutralized with 37% HCl, diluted with AcOEt, sequentially washed with water and brine, and dried over anhydrous MgSO4. The solvent was filtered and evaporated under reduced pressure to produce the desired pure compound 2, with a global yield of 83% for steps (a) and (b), that is an average yield of 91% for each step. NMR 1H (CDCl3, 300 MHz), delta (ppm): 4.30 (s, 2H, -OCH2-), 6.70-7.30 (m, 4H, ArH), and 9.50 (s, 1H, COOH). Data consistent with the literature 2.
	With water; sodium hydroxide; In ethanol; at 20℃; for 4h;	General procedure: A solution of corresponding substituted ethylaryloxyacetate (3a-f, 25 mmol) in ethanol (100 mL) was treated with 10% aqueous sodium hydroxide (9 mmol). After 4 h at room temperature and evaporation under reduced pressure of ethanol, the aqueous phases were acidified at pH 4 with HCl (2 N). Removal of precipitate by filtration yielded the crude acids, which were recrystallized in ethanol to afford substituted aryloxyacetic acid 4a-f, yield 66-90%.

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride;Reflux;	General procedure: Each substituted benzoic acid or aroyloxy acetic acid (7a-s) 0.088 mol was refluxed for 2-12 h in 2.4 mol of HCl gas saturated anhydrous ethanol. Then a hot solution was poured into 300 mL of water (no hydrochloride separates) to which solid Na2CO3 was added until the solution turns neutral. Precipitated ester was filtered by suction, dried and recrystallized from ethanol or methanol. In case of liquid esters, the neutralized solution was extracted with chloroform (25 mL x 3), the combined extracts were dried over Na2SO4, filtered, and concentrated under reduced pressure to afford a clear liquid.
	With acetyl chloride; for 24h;Cooling with ice; Reflux;	General procedure: Compounds D1-7 were prepared by similar procedures. In atypical synthesis of D1, a mixture of phenoxyacetate(10 mmol, 1.80 g), hydrazine hydrate (80 %, 5 mL) and absoluteethanol (30 mL) was added to a 150 mL three-neckflask, then the reaction mixture was refluxed for 5 h. Themixture was cooled to room temperature. The crude productwas collected by filtration and washed several times with ethanol.After drying, white needle crystal was recrystallizedfrom ethanol and dried in vacuum

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CAS No.: 6964-29-0

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CAS No.: 6964-29-0

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Physical hazards
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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