53956

Hydroquinine 2,5-diphenyl-4,6-pyrimidinediyl diether

purum, ≥97.0% (sum of enantiomers, HPLC)

• Empirical Formula (Hill Notation): C₅₆H₆₀N₆O₄
• CAS Number: 149820-65-5
• Molecular Weight: 881.11
• MDL number: MFCD00198109
• UNSPSC Code: 12352000

Properties

• grade: purum
• Assay: ≥97.0% (sum of enantiomers, HPLC)
• optical activity: [α]20/D +460±5°, c = 1.2% in methanol
• mp: 245-248 °C (lit.); 245-248 °C
• SMILES string: CC[C@H]1CN2CCC1C[C@@H]2[C@H](Oc3nc(nc(O[C@@H]([C@@H]4CC5CC[N@H]4C[C@H]5CC)c6ccnc7ccc(OC)cc67)c3-c8ccccc8)-c9ccccc9)c%10ccnc%11ccc(OC)cc%10%11
• InChI: 1S/C56H60N6O4/c1-5-35-33-61-27-23-39(35)29-49(61)52(43-21-25-57-47-19-17-41(63-3)31-45(43)47)65-55-51(37-13-9-7-10-14-37)56(60-54(59-55)38-15-11-8-12-16-38)66-53(50-30-40-24-28-62(50)34-36(40)6-2)44-22-26-58-48-20-18-42(64-4)32-46(44)48/h7-22,25-26,31-32,35-36,39-40,49-50,52-53H,5-6,23-24,27-30,33-34H2,1-4H3/t35-,36?,39?,40+,49?,50?,52+,53+/m0/s1
• InChI key: SWKRDCRSJPRVNF-RMMANSCUSA-N

Description

Other Notes

Ligand for the asymmetric dihydroxylation of olefins. It is superior to other ligands for the AD of monosubstituted terminal olefins