1047629-03-7|Methyl 4-(1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxylate| Ambeed

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CAS No. :	1047629-03-7
Formula :	C₁₀H₁₀N₂O₂S
M.W :	222.26
SMILES Code :	O=C(C1=CC(C2=CC=NN2C)=CS1)OC
MDL No. :	MFCD28137546

Yield	Reaction Conditions	Operation in experiment
100%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In 1,4-dioxane; water; at 80℃; for 18h;Sealed tube;	To a solution of methyl 4-bromothiophene-2-car- boxylate (1.00 g, 4.52 mmol) in dioxane/H20 (30:3 mE) was added K2C03 (2.69 g, 19.45 mmol), tetrakistriphenylphosphine Pd(O) (0.78 g, 0.678 mmol), and 5-(5,5-dimethyl-1, 3,2-dioxaborinan-2-yl)-1 -methyl-i H-pyrazole (2.68 g,12.89 mmol). The reaction mixture was heated to 80 C. in a sealed tube for 18 h. The reaction solution was concentrated under vacuum and purified on silica gel (hexanes/ EtOAc, 4:1) to give the title compound methyl 4-(i-methyl- 1H-pyrazol-5-yl)thiophene-2-carboxylate (1.01 g, 100%) as yellow solid. ?H NMR (400 MHz, DMSO-d): oe 8.16 (d, 1H, J=i.6 Hz), 8.02 (d, 1H, J=i.6 Hz), 7.44 (d, 1H=2.0 Hz), 6.56 (d, 1H, J=2.0 Hz), 3.93 (s, 3H), 3.85 (s, 3H); MS (ESI):Calcd, for C1OH1ON2O2S: 222.1, found 223.1 (M+i).
	With potassium carbonate;bis(tri-t-butylphosphine)palladium(0); In 1,4-dioxane; water; at 80℃; for 1h;	To a solution of <strong>[62224-16-2]methyl 4-bromo-2-thiophenecarboxylate</strong> (1 g, 4.52 mmol) in dioxane/H2O (5:1 , 16 ml.) was added K2CO3 (2.7 g, 19 mmol), bis(tri-t- butylphosphine)palladium(O) (116 mg, 0.226 mmol) and 5-(5,5-dimethyl-1 ,3,2- dioxaborinan-2-yl)-1-methyl-1 H-pyrazole (1.2 g, 5.88 mmol). The reaction mixture was heated to 80 C in a sealed tube. After 1 h, the reaction was partitioned <n="136"/>between H2O-DCM and the aqueous phase was extracted several times with DCM. The combined organic fractions were dried over Na2SO4, concentrated and used directly: LCMS (ES) m/z 223 (M+H)+.

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Prevention
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P222	Do not allow contact with air.
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Response
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P321
P322
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P378
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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.
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P370 + P378	In case of fire:
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P401
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Disposal
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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
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H204	Fire or projection hazard
H205	May mass explode in fire
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H221	Flammable gas
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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
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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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Health hazards
Code	Phrase
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H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
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H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
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H316	Causes mild skin irritation
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H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
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H332	Harmful if inhaled
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H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
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H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
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H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 1047629-03-7

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CAS No.: 1047629-03-7

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