Related CAS: | 1146629-84-6 (R-isomer) 1236033-24-1 (S-isomer) |
IUPAC Name: | 3-cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile |
Description: | It is an intermediate in the synthesis of Ruxolitinib, which is a selective inhibitor of Janus tyrosine kinase (JAK1 and JAK2) for the treatment of myeloproliferative neoplasms and psoriasis. |
Molecular Weight: | 315.22 |
Molecular Formula: | C17H26BN3O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(CC#N)C3CCCC3 |
InChI: | InChI=1S/C17H26BN3O2/c1-16(2)17(3,4)23-18(22-16)14-11-20-21(12-14)15(9-10-19)13-7-5-6-8-13/h11-13,15H,5-9H2,1-4H3 |
InChI Key: | LJZLJWDLFHJEOC-UHFFFAOYSA-N |
Boiling Point: | 471.8±25.0°C (Predicted) |
Purity: | 95% |
Density: | 1.13±0.1 g/cm3 |
Solubility: | Soluble in DCM, Methanol |
Appearance: | White Solid |
Storage: | Store at 2-8°C |
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Related Functional Groups
Boronic Acids and Esters
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
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[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
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