| Identification | Back Directory | [Name]
SELEXIPAG interMediate | [CAS]
475086-75-0 | [Synonyms]
SELEXIPAH INT
Selexipag internate 1
Selexipag Impurity 32
SELEXIPAG interMediate
Selexipag intermediates
4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butan-1-ol
4-[(5,6-Diphenylpyrazinyl)(1-methylethyl)amino]-1-butanol
-[(5,6-diphenyl-2-pyrazinyl)(1-methylethyl)amino]-1-Butanol
1-Butanol, 4-[(5,6-diphenylpyrazinyl)(1-methylethyl)amino]-
4-[(5,6-diphenyl-2-pyrazinyl)(1-methylethyl)amino]-1-Butanol
1-Butanol, 4-[(5,6-diphenyl-2-pyrazinyl)(1-methylethyl)amino]- | [EINECS(EC#)]
813-799-3 | [Molecular Formula]
C23H27N3O | [MDL Number]
MFCD28411750 | [MOL File]
475086-75-0.mol | [Molecular Weight]
361.48 |
| Chemical Properties | Back Directory | [Melting point ]
68 - 71°C | [Boiling point ]
514.4±50.0 °C(Predicted) | [density ]
1.112±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), DMSO (Slightly) | [form ]
Solid | [pka]
15.05±0.10(Predicted) | [color ]
Pale Yellow to Light Yellow | [InChI]
InChI=1S/C23H27N3O/c1-18(2)26(15-9-10-16-27)21-17-24-22(19-11-5-3-6-12-19)23(25-21)20-13-7-4-8-14-20/h3-8,11-14,17-18,27H,9-10,15-16H2,1-2H3 | [InChIKey]
PKBSUZWFQXNCSI-UHFFFAOYSA-N | [SMILES]
C(O)CCCN(C1=NC(C2=CC=CC=C2)=C(C2=CC=CC=C2)N=C1)C(C)C |
| Hazard Information | Back Directory | [Uses]
4-[(5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino]-1-butanol is a diphenylpyrazine derivative which belongs to a class of prostacyclin receptor agonists. It is an impurity of Selexipag (S253150) that is a potential drug for the treatment of various vascular disorders such as pulmonary arterial hypertension and arteriosclerosis obliterans. | [Application]
Selexipag interMediate is a synthetic organic compound that is used as an intermediate in the synthesis of oxychloride. It is an oxychloride with a nucleophilic substitution reaction. The reaction proceeds selectively at the phosphorus atom and gives high yield. The reactivity of 4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butan-1-ol is enhanced by the use of n butanol, which also acts as a solvent for the reaction. The product can be purified by filtration or recrystallization from hexane with piperazine as a reagent. |
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