Beta-Cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile-d8

CAS: 1153949-38-2

Ref. TR-C989817

Product Information

• Name: Beta-Cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile-d8
• Synonyms: 3-Cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propanenitrile-d8
• Brand: TRC

Description

Applications β-Cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile-d8 is an intermediate in the synthesis of Ruxolitinib (R701995), a selective Janus tyrosine kinase (JAK1 and JAK2) inhibitor used in the treatment of myeloproliferative neoplasms and psoriasis.
References Shilling, A.D. et al.: Drug Metab. Disp., 38, 2023 (2010); Mesa, R.A.: IDrugs, 13, 394 (2010); Campas-Moya, C.: Drugs Fut., 35, 457 (2010);

Chemical properties

• Molecular weight: 323.27
• Formula: C₁₇H₁₈D₈BN₃O₂
• Color/Form: Neat
• 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/i5D2,6D2,7D2,8D2
• SMILES: [2H]C1([2H])C(C(CC#N)n2cc(B3OC(C)(C)C(C)(C)O3)cn2)C([2H])([2H])C([2H])([2H])C1([2H])[2H]