1610703-67-7|6-Chloro-9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purine| Ambeed

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CAS No. :	1610703-67-7
Formula :	C₁₂H₁₁ClN₆
M.W :	274.71
SMILES Code :	CC1=NC=C(C2=NC3=C(Cl)N=CN=C3N2CC)C=N1

Yield	Reaction Conditions	Operation in experiment
	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate; In 1,4-dioxane; water; at 90℃;Inert atmosphere;	Into a 5-L 4-neck round-bottom flask purged and maintained with an inert atmosphere ofnitrogen was placed a solution of 6-chloro-9-ethyl-8-iodo-9H-purine (242 g, 784 mmol), <strong>[1034924-06-5](2-methylpyrimidin-5-yl)boronic acid</strong> (108 g, 783 mmol), potassium carbonate (162 g, 1.17 mol) and Pd(dppf)C12-DCM (32 g, 39 mmol) in dioxane (2.4 L) and water (480 mL). The resulting solution was stirred overnight at 90°C. The reaction mixture was cooled to room temperature, then extracted with 2 x 1.5 L of ethyl acetate. The organic extracts were combined, dried over anhydrous magnesium sulfate and concentrated under vacuum. The residue was applied onto a silica gel column and eluted with petroleum ether/dichloromethane/ethyl acetate (5:1:1) providing 6-chloro-9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purine (Intermediate IV). ?H NMR (300 MHz, CDC13) 9.12 (s, 2 H), 8.80 (s, 1 H), 4.46 (q, J= 7.2 Hz, 2 H), 2.89 (s, 3 H), 1.57-1.51 (t, J 7.2 Hz, 3 H). MS (El) Calc?d for C,2H12N6C1 [M+H], 275; found, 275.
	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate; In 1,4-dioxane; water; at 90℃;Inert atmosphere;	Into a 5-L 4-neck round-bottom flask purged and maintained with an inert atmosphere of nitrogen was placed a solution of 6-chloro-9-ethyl-8-iodo-9H-purine (242 g, 784 mmol) , <strong>[1034924-06-5](2-methylpyrimidin-5-yl)boronic acid</strong> (108 g, 783 mmol), potassium carbonate (162 g, 1.17 mol) and Pd(dppf)Cl2-DCM (32 g, 39 mmol) in dioxane (2.4 L) and water (480 mL). The resulting solution was stirred overnight at 90 . The reaction mixture was cooled to room temperature, then extracted with 2 x 1.5 L of EtOAc. The organic extracts were combined, dried (MgSO4) and concentrated under vacuum. The residue was purified by chromatography on SiO2(5: 1: 1 petroleum ether/DCM/EtOAc) providing 6-chloro-9-ethyl-8- (2-methylpyrimidin-5-yl) -9H-purine (Intermediate I) .1H NMR (300 MHz, CDCl3) delta 9.12 (s, 2 H) , 8.80 (s, 1 H) , 4.46 (q, J 7.2 Hz, 2 H) , 2.89 (s, 3 H) , 1.57-1.51 (t, J 7.2 Hz, 3 H) . MS (EI) calc?d for C12H12N6Cl [M+H]+, 275 found, 275.

Precautionary Statements-General
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Prevention
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P321
P322
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P378
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P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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P401
P402	Store in a dry place.
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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
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H226	Flammable liquid and vapour
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H228	Flammable solid
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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
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
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H332	Harmful if inhaled
H333	May be harmful if inhaled
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H340	May cause 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.: 1610703-67-7

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CAS No.: 1610703-67-7

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