1269026-22-3|Ethyl 6-bromo-3-hydroxy-5-methylpyrazine-2-carboxylate| Ambeed

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CAS No. :	1269026-22-3
Formula :	C₈H₉BrN₂O₃
M.W :	261.07
SMILES Code :	CCOC(=O)C1=NC(Br)=C(C)N=C1O
MDL No. :	MFCD29905280
InChI Key :	POYHGPKBZHOUBJ-UHFFFAOYSA-N
Pubchem ID :	88548109

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H319
Precautionary Statements:	P264-P270-P280-P301+P312+P330-P305+P351+P338-P337+P313-P501

Yield	Reaction Conditions	Operation in experiment
64%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,4-dioxane; water; at 80℃;Inert atmosphere;	Ethyl 6-bromo-3-hydroxy-5-methylpyrazine-2-carboxylate (2.5 g, 9.58 mmol), 2,3-dichlorophenylboronic acid (2.7 g, 14.15 mmol), Pd(dppf)Cl2 (690 mg, 0.94 mmol) and potassium carbonate (2.6 g, 18.81 mmol) were dissolved in anhydrous dioxane (50 mL)/ water (10 mL). The reaction solution was purged with nitrogen, heated to 80C and stirred overnight. The reaction solution was cooled to room temperature, and then water was added. The solution was extracted with dichloromethane, and the organic phase was dried over anhydrous sodium sulfate and filtered. The filtrate was concentrated to obtain a crude product, which was purified by column chromatography to obtain the product ethyl 6-(2,3-dichlorophenyl)-3-hydroxy-5-methylpyrazine-2-carboxylate (2.0 g, yield: 64%).MS m/z (ESI): 327.0 [M+H]+, 329.0[M+2+H]+.
29%	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate; In water; acetonitrile; at 90℃; for 1h;Inert atmosphere;	To the stirred mixture of ethyl 6-bromo-3-hydroxy-5-methylpyrazine-2-carboxylate (1.90 g, 7.28 mmol, 1.00 eq) and K2C03 (4.02 g, 29.1 mmol, 4 eq) in ACN (9.50 mL) and H20 (1.90 mL) was added (2,3-dichlorophenyl)boronic acid (1.39 g, 7.28 mmol, 1.00 eq) and Pd(dppf)Cl2 CH2Cl2 (594 mg, 728 umol, 0.10 eq) under N2 at 20 C. The mixture was stirred at 90 C for 1 h. To the mixture was then added H20 (20.0 mL) and acidified with 0.5 N HC1 to pH = 7. The mixture was then extracted with ethyl acetate (40.0 mL x 3). The combined organic layers were washed with brine (30.0 mL x 2), dried over Na2S04, filtered and concentrated. The residue was purified by flash silica gel chromatography (petroleum ether/ethyl acetate=50/l~l/l, Rf = 0.6) to give ethyl 6-(2,3-dichlorophenyl)-3-hydroxy-5- methylpyrazine-2-carboxylate (700 mg, 29% yield) as a yellow solid. LCMS m/z [M+H]+ = 327.1; 1H MR (400MHz CDCl3) 11.47 (br s, 1 H), 7.57 (d, J= 7.6 Hz, 1 H), 7.34 (t, J= 7.6 Hz, 1 H), 7.27 - 7.25 (m, 1 H), 4.56 (q, J = 6.8 Hz, 2 H), 2.42 (s, 3 H), 1.45 (td, J = 7.2 Hz, 0.8 Hz, 3 H).

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Code	Phrase
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P222	Do not allow contact with air.
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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.
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
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P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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CAS No.: 1269026-22-3

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CAS No.: 1269026-22-3

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Pyrazines

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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
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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
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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

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CAS No.: 1269026-22-3

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CAS No.: 1269026-22-3

Alternative Products

Product Details of [ 1269026-22-3 ]

Safety of [ 1269026-22-3 ]

Application In Synthesis of [ 1269026-22-3 ]

[ 1269026-22-3 ] Synthesis Path-Downstream 1~1

Related Products

Historical Records

Technical Information

Categories

Related Functional Groups of [ 1269026-22-3 ]

Esters

Related Parent Nucleus of [ 1269026-22-3 ]

Pyrazines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Molarity Calculator

Total Compounds Calculator

Dissolution Calculator

Related Functional Groups of
[ 1269026-22-3 ]

Related Parent Nucleus of
[ 1269026-22-3 ]