475086-75-0|4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butan-1-ol| Ambeed

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CAS No. :	475086-75-0
Formula :	C₂₃H₂₇N₃O
M.W :	361.48
SMILES Code :	OCCCCN(C1=NC(C2=CC=CC=C2)=C(C3=CC=CC=C3)N=C1)C(C)C
MDL No. :	MFCD28411750
InChI Key :	PKBSUZWFQXNCSI-UHFFFAOYSA-N
Pubchem ID :	18452655

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338

Yield	Reaction Conditions	Operation in experiment
89.7%	With potassium tert-butylate; In tetrahydrofuran; at 0 - 5℃; for 1h;	To the reaction flask was added 4-[(5,6-diphenylpyrazin-2-yl)(isopropyl)amino]-1-butanol (100 g, 1 eq), THF (1 L), Stir and dissolve;Cooling to 0-5 C; potassium tert-butoxide (155.21 g, 5 eq) was added in portions, temperature control 0-5 C;N-(Chloroacetyl)methylsulfonamide (142 g, 3 eq) was dissolved in tetrahydrofuran (500 mL).Dropped into the above reaction bottle, the temperature is controlled at 0-5 C,The addition is completed in about 1 hour; after the reaction is completed, the reaction is stopped;The reaction solution was concentrated to dryness and dichloromethane (1L) was added.Water (1L); adjust the pH to 5-6 with 1M hydrochloric acid, dispense,The aqueous phase was extracted with dichloromethane (500 mL).The organic phase was washed with water (1 L). The organic phase was concentrated to dryness, anhydrous ethanol (1 L) was added, and the crystals were stirred to give 93.69 g.89.7%, purity 98.5%.
890 mg		Potassium tertiary butoxide (700 mg) and dimethylsulfoxide (50 mL) were charged into a 100 mL round bottom flask at 30C. 4-[N-(5,6-diphenylpyrazin-2-yl)-N- isopropylamino]-1 -butanol (1 gm) at 28 C and the resulted mixture was stirred for 15 minutes. <strong>[202658-88-6]2-chloro-N-(methylsulfonyl)acetamide</strong> (1 .2 gm) was added at the resulted was added at the resulted mixture was stirred at 30C for 16 hours. Progress of the reaction was monitored by TLC and after completion of the reaction the reaction mass was poured into cold water and pH was adjusted to 6.5 with 1 N hydrochloric acid (-15 mL). The aqueous layer was extracted with ethylacetate, dried over anhydrous magnesium sulphate and then concentrated. The residue was purified by silica gel column chromatography using 2% Methanol in DCM as eluent to obtain 890 mg of Selexipag.

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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.
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P370 + P378	In case of fire:
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P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
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P401
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Disposal
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P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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CAS No.: 475086-75-0

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CAS No.: 475086-75-0

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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