51461-34-8|Ethyl 4-bromo-2-methyl-3-oxobutanoate| Ambeed

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CAS No. :	51461-34-8
Formula :	C₇H₁₁BrO₃
M.W :	223.06
SMILES Code :	O=C(OCC)C(C)C(CBr)=O

Yield	Reaction Conditions	Operation in experiment
	With hydrogen bromide; at 100℃; for 6h;	Ethyl 4-bromo-2-methyl-3-oxobutanoate (7.81 g, 35 mmol) was treated with hydrogen bromide (0.040 mL, 48%, 0.35 mmol) and the mixture was heated at 100 C for 6 h. The precipitate was collected by filtration followed by washing with ethyl acetate to give 4-hydroxy-3-methylfuran-2(5H)-one. 1HNMR (500 MHz, CDC13), 54.595 (s, 2H), 3.314 (s, 1H), 1.668 (s, 3H).
	With hydrogen bromide; at 100℃; for 6h;	Ethyl 4-bromo-2-methyl-3-oxobutanoate (7.81 g, 35 mmol) was treated with hydrogen bromide (0.040 mL, 48%, 0.35 mmol) and the mixture was heated at 100 C for 6 h. The precipitate was collected by filtration followed by washing with ethyl acetate to give 4-hydroxy-3-methylfuran-2(5H)-one. 1HNMR (500 MHz, CDC13), 54.595 (s, 2H), 3.314 (s, 1H), 1.668 (s, 3H).
	With hydrogen bromide; at 100℃; for 6h;	Step B: 4-Hydroxy-3 -methylfuran-2(5H)-one A mixture of ethyl 4-bromo-2-methyl-3 -oxobutanoate (7.81 g, 35 mmol) and hydrogen bromide (0.040 mL, 48%, 0.35 mmol) was heated at 100 C for 6 h. The precipitate was collected by filtration, and washed with ethyl acetate to give the title compound. 1H NMR (500 MHz, CDC13), δ 4.60 (s, 2 H), 3.31 (s, 1H), 1.69 (s, 3 H).

	With hydrogen bromide; at 100℃; for 6h;	A mixture of ethyl 4-bromo-2-methyl-3-oxobutanoate (7.81 g, 35 mmol) and hydrogen bromide (0.040 mL, 48%, 0.35 mmol) was heated at 100 C for 6 h. The precipitate wascollected by filtration, and washed with ethyl acetate to give the title compound. ‘H NMR (500MHz, CDC13), ö 4.60 (s, 2 H), 3.31 (s, 1H), 1.69 (s, 3 H).
	With hydrogen bromide; at 100℃; for 6h;	Step B: 4-hydroxy-3-methylfuran-2(5H)-one: Ethyl 4-bromo-2-methyl-3-oxobutanoate (7.81 g, 35 mmol) was treated with hydrogen bromide (0.040 mL, 48%, 0.35 mmol) and the mixture was heated at 100 C for 6 h. The precipitate was collected by filtration followed by washing with ethyl acetate to give 4-hydroxy-3-methylfuran-2(5H)-one
	With hydrogen bromide; at 100℃; for 6h;	Step B: 4-hydroxy-3-methylfuran-2(5H)-one: Ethyl 4-bromo-2-methyl-3-oxobutanoate (7.81 g, 35 mmol) was treated with hydrogen bromide (0.040 mL, 48%, 0.35 mmol) and the mixture was heated at 100 C for 6 h. The precipitate was collected by filtration followed by washing with ethyl acetate to give 4-hydroxy-3-methylfuran-2(5H)-one.
	With water; hydrogen bromide; at 100℃; for 6h;	A mixture of ethyl 4-bromo-2-methyl-3-oxobutanoate (7.81 g, 35 mmol) and hydrogen bromide (0.040 mL, 48%, 0.35 mmol) was heated at 100 C for 6 h. The precipitate was collected by filtration, and washed with ethyl acetate to give the title compound. ‘H NMR (500MHz, CDC13), ö 4.60 (s, 2 H), 3.31 (s, 1H), 1.69 (s, 3 H).
	With hydrogen bromide; at 100℃; for 6h;	Step B: 4-Hydroxy-3 -methylfuran-2(5H)-oneA mixture of ethyl 4-bromo-2-methyl-3-oxobutanoate (7.81 g, 35 mmol) and hydrogen bromide (0.040 mL, 48%, 0.35 mmol) was heated at 100 C for 6 h. The precipitate was collected by filtration, and washed with ethyl acetate to give the title compound. ‘H NIVIR (500 IVIHz, CDC13),ö 4.60 (s, 2 H), 3.31 (s, 1H), 1.69 (s, 3 H).
	With hydrogen bromide; at 100℃; for 6h;	A mixture of ethyl 4-bromo-2-methyl-3 -oxobutanoate (7.81 g, 35 mmol) and hydrogen bromide (0.040 mL, 48%, 0.35 mmol) was heated at 100 C for 6 h. The precipitate was collected by filtration, and washed with ethyl acetate to give the title compound. 1H NMR (500 MHz, CDCI3), δ 4.60 (s, 2 H), 3.31 (s, 1H), 1.69 (s, 3 H).
	With hydrogen bromide; at 100℃; for 6h;	Ethyl 4-bromo-2-methyl-3-oxobutanoate (7.81 g, 35 mmol) was treated with hydrogen bromide (0.040 mL, 48%, 0.35 mmol) and the mixture was heated at 100C for 6 h. The precipitate was collected by filtration followed and washed with ethyl acetate to give 4-hydroxy-3-methylfuran-2(5H)-one. 1HNMR (500 MHz, CDC13), 54.595 (s, 2H), 3.314 (s, 1H), 1.668 (s, 3H).
	With hydrogen bromide; at 100℃; for 6h;	Step B: 4-hydroxy-3 -methylfuran-2(SH)-one: Ethyl 4-bromo-2-methyl-3 -oxobutanoate (7.81 g, 35 mmol) was treated with hydrogen bromide (0.040 mL, 48%, 0.35 mmol) and the mixture was heated at 100C for 6 h. The precipitate was collected by filtration followed by washing with ethyl acetate to give 4-hydroxy-3-methylfuran-2(SI])-one. ‘HNMR (500 MHz, CDC13), ö4.595 (s,2H), 3.3 14 (s, 1H), 1.668 (s, 3H).
	With hydrogen bromide; at 100℃; for 6h;	A mixture of ethyl 4-bromo-2-methyl-3-oxobutanoate (7.81 g, 35 mmol) and hydrogen bromide (0.040 mL, 48%, 0.35 mmol) was heated at 100 C. for 6 h. The precipitate was collected by filtration, and washed with ethyl acetate to give the title compound. 1H NMR (500 MHz, CDCl3), δ 4.60 (s, 2H), 3.31 (s, 1H), 1.69 (s, 3H).

Precautionary Statements-General
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P102	Keep out of reach of children.
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Prevention
Code	Phrase
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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
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P234	Keep only in original container.
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P240	Ground/bond container and receiving equipment.
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P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
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P272	Contaminated work clothing should not be allowed out of the workplace.
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Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
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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.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
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.
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:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
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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P422
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P411 + P235	Keep cool.
Disposal
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CAS No.: 51461-34-8

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CAS No.: 51461-34-8

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[ 51461-34-8 ] 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