1,5-环辛二烯(吡啶)(三环己基磷化氢)铱六氟磷酸盐 | 64536-78-3
中文名称:
1,5-环辛二烯(吡啶)(三环己基磷化氢)铱六氟磷酸盐
英文名称:
(1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) Hexafluorophosphate
CAS No.:
64536-78-3
分子式:
C3 1 H5 0 F6 IrNP2
分子量:
804.8903
名称和标识符
MDL
MFCD00075097
InChIKey
WLRQNTYCIFESRH-KJWGIZLLSA-N
Inchi
1S/C18H33P.C8H12.C5H5N.F6P.Ir/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1;1-7(2,3,4,5)6;/h16-18H,1-15H2;1-2,7-8H,3-6H2;1-5H;;/q;;;-1;/b;2-1-,8-7-;;;
SMILES
[Ir].P(C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])(C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H].[P-](F)(F)(F)(F)(F)F.N1C([H])=C([H])C([H])=C([H])C=1[H].C1([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])=C([H])C1([H])[H] |t:75,85|
别名信息
- 中文别名 -
1,5-环辛二烯(吡啶)(三环己基磷化氢)铱六氟磷酸盐
1,5-环辛二烯(吡啶)(三环己基磷化氢)铱(I)六氟磷酸盐
(1,5-环辛二烯)(嘧啶)(三环己基膦)铱(I)六氟磷酸盐
(1,5-环辛二烯)(吡啶)(三环己基膦)六氟磷酸铱
,5-环辛二烯(吡啶)(三环己基磷化氢)铱六氟磷酸盐
1,5-环辛二烯(吡啶)(三环己基磷)铱(I)六氟磷酸盐
六氟磷酸(三环已基膦)(1,5-环辛二烯)(吡啶)合铱
Crabtree催化剂
六氟磷酸(三环己基膦)(1,5-环辛二烯)(吡啶)合铱
铱(I)六氟磷酸(1,5-环辛二烯)-(吡啶)-(三环己基膦)复合物
(1,5-环辛二烯)(吡啶)(三环己基膦)六氟磷酸铱(I)
1,5-环辛二烯(吡啶)(三环己基膦)铱六氟磷酸盐
Crabtree 催化剂
- 英文别名 -
(Tricyclohexylphosphine)(1,5-cyclooctadiene)(pyridine)iridium(I) hexafluorophosphate
(1,5-cyclooctadiene)(pyrid.)(tric.hexyl-phosphine)irid(I)pf6
(1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophosphate
(Tricyclohexyphosphine)(1,5-cyclooctadiene)(pyridine)iridium(I) hexafluorophosphate
Crabtrees Catalyst~(Tricyclohexyphosphine)(1,5-cyclooctadiene)(pyridine)iridium(I) hexafluorophosphate
1,5-Cyclooctadiene(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophosphate
1,5-Cyclooctadiene(pyridine)(tricyclohexylphosphine)iridium(I)
Tricylocohexylphosphine (1, 5-Cyclooctadiene) (Pyridine) Iridium (I) Hexafluorophosphate ["Crabtree Cat"]
[Ir(cod)(PCy3)(py)]PF6
Crabtree's Catalyst
(1,5-Cyclooctadiene)pyridine(tricyclohexylphosphine)iridium hexafluorophosphate
816RS2NBPN
Felkin-crabtree catalyst
Crabtree's catalyst [MI]
IRIDIUM(I) HEXAFLUOROPHOSPHATE
C
(1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) Hexafluorophosphate
物化性质
实验特性
LogP
13.60320
PSA
40.07000
Merck
13,2594
水溶性
Slightly soluble in acetone, dichloromethane, ethanol and diethyl ether. Insoluble in water.
熔点
175 °C (dec.) (lit.)
颜色与性状
橙色晶体。
溶解性
不能溶于水。
敏感性
Moisture Sensitive
密度
1.67 g/cm3
计算特性
精确分子量
805.29500
氢键供体数量
0
氢键受体数量
8
可旋转化学键数量
3
同位素质量
805.295
重原子数量
41
复杂度
368
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
2
共价键单元数量
5
疏水参数计算参考值(XlogP)
无
互变异构体数量
无
表面电荷
-1
拓扑分子极性表面积
12.9
相关文献
1.
A leap forward in iridium–NHC catalysis: new horizons and mechanistic insights
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2.
Highly active iridium(i) complexes for the selective hydrogenation of carbon–carbon multiple bonds
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3.
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4.
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Stereoselective hydrogenations of aryl-substituted dienes
Xiuhua Cui,James W. Ogle,Kevin Burgess Chem. Commun. 2005 672
8.
Transfer of SABRE-derived hyperpolarization to spin-1/2 heteronuclei
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9.
Highly active iridium(i) complexes for catalytic hydrogen isotope exchange
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参考资料
Reaxys RN
16178060
Beilstein
MFCD00075097