1,5-Cyclooctadiene{[dibenzyl((4S,5S)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]dicyclohexylphosphinite κN:κP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate ((4S,5S)-(-)-O-[1-苄基-1-(5-甲基-2-苯基-4,5-二氢恶唑-4-基)-2-苯基乙基]-二环己基磷)(1,5-COD)铱 (I) 四三(3,5-双(三氟甲基)苯硼酸
CAS 583844-38-6 MFCD06658139
化学结构图
SMILES: C[C@@H]1OC(c2ccccc2)=N[C@@H]1C(Cc1ccccc1)(Cc1ccccc1)OP(C1CCCCC1)C1CCCCC1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.[CH]1[CH]CC[CH][CH]CC1.[Ir+]
化学属性
| Mol. Formula | C77H70BF24IrNO2P |
|---|---|
| Mol. Weight | 1731.35 |
| Appearance | orange pwdr. |
| Stability | air sensitive, moisture sensitive, store cold |
| Melting Point | 160-161°C |
别名和识别编码
| Chemical Name | 1,5-Cyclooctadiene{[dibenzyl((4S,5S)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]dicyclohexylphosphinite κN:κP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate |
|---|---|
| Synonym | Ubaphox [((4S,5S)-Cy2-Ubaphox)Ir(COD)]BARF |
| PubChem Substance ID | 17756005 |
| Chemical Name Translation | ((4S,5S)-(-)-O-[1-苄基-1-(5-甲基-2-苯基-4,5-二氢恶唑-4-基)-2-苯基乙基]-二环己基磷)(1,5-COD)铱 (I) 四三(3,5-双(三氟甲基)苯硼酸 |
| LabNetwork Molecule ID | LN02126553 |
| InChI | InChI=1S/C37H46NO2P.C32H12BF24.C8H12.Ir/c1-29-35(38-36(39-29)32-21-11-4-12-22-32)37(27-30-17-7-2-8-18-30,28-31-19-9-3-10-20-31)40-41(33-23-13-5-14-24-33)34-25-15-6-16-26-34;34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-2-4-6-8-7-5-3-1;/h2-4,7-12,17-22,29,33-35H,5-6,13-16,23-28H2,1H3;1-12H;1-2,7-8H,3-6H2;/q;-1;;/t29-,35-;;;/m0.../s1 |
| MDL Number | MFCD06658139 |
| CAS Number | 583844-38-6 |
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分类
- {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Catalysts, Ligands, and Reagents, PHOX, Privileged Ligands and Complexes, Solvias Ligands and Complexes, Ubaphox
