(^tBu4PCOP)IrHCl | 1449242-85-6

• 英文名称: (^tBu4PCOP)IrHCl
• 英文别名: (^tBuPCOP)IrHCl
• CAS: 1449242-85-6
• 化学式: C₂₃H₄₂ClIrOP₂
• 分子量: 624.206
• InChiKey: YGGDRWGXKYJXNB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (^tBu4PCOP)IrHCl 在 氢气 、 三乙基硼氢化锂 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 反应 0.5h， 以93%的产率得到(^tBuPCOP)IrH2
  参考文献：
  名称：

  Catalytic Synthesis of n-Alkyl Arenes through Alkyl Group Cross-Metathesis

  摘要：

  n-Alkyl arenes were prepared in a one-pot tandem dehydrogenation/olefin metathesis/hydrogenation sequence directly from alkanes and ethylbenzene. Excellent selectivity was observed when ((PCP)-P-tBu)IrH2 was paired with tungsten monoaryloxide pyrrolide complexes such as W(NAr)(C3H6)(pyr)(OHIPT) (1a) [AT = 2,6-i-Pr2C6H3; pyr = pyrrolide; OHIPT = 2,6-(2,4,6-i-Pr3C6H2)(2)C6H3O]. Complex 1a was also especially active in n-octane self-metathesis, providing the highest product concentrations reported to date. The thermal stability of selected olefin metathesis catalysts allowed elevated temperatures and extended reaction times to be employed.

  DOI：

  10.1021/ja4066392
• 作为产物：
  描述：

  间羟基苄基溴 在 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 丙酮 、 甲苯 为溶剂， 反应 93.5h， 生成 (^tBu4PCOP)IrHCl
  参考文献：
  名称：

  Catalytic Synthesis of n-Alkyl Arenes through Alkyl Group Cross-Metathesis

  摘要：

  n-Alkyl arenes were prepared in a one-pot tandem dehydrogenation/olefin metathesis/hydrogenation sequence directly from alkanes and ethylbenzene. Excellent selectivity was observed when ((PCP)-P-tBu)IrH2 was paired with tungsten monoaryloxide pyrrolide complexes such as W(NAr)(C3H6)(pyr)(OHIPT) (1a) [AT = 2,6-i-Pr2C6H3; pyr = pyrrolide; OHIPT = 2,6-(2,4,6-i-Pr3C6H2)(2)C6H3O]. Complex 1a was also especially active in n-octane self-metathesis, providing the highest product concentrations reported to date. The thermal stability of selected olefin metathesis catalysts allowed elevated temperatures and extended reaction times to be employed.

  DOI：

  10.1021/ja4066392

文献信息

• Rational Design of Highly Active “Hybrid” Phosphine–Phosphinite Pincer Iridium Catalysts for Alkane Metathesis
  作者：Agnieszka J. Nawara-Hultzsch、Jason D. Hackenberg、Benudhar Punji、Carolyn Supplee、Thomas J. Emge、Brad C. Bailey、Richard R. Schrock、Maurice Brookhart、Alan S. Goldman

  DOI：10.1021/cs400624c

  日期：2013.11.1

  phosphine–phosphinite pincer ligands (PCOP) and the corresponding iridium complexes were synthesized (3c–e). In tandem with olefin-metathesis catalyst MoF12, (tBu4PCOP)IrH2 displays significantly higher activity for the metathesis of n-hexane than does (tBu4PCP)IrH2 or (tBu4POCOP)IrH2. (tBu2PCOPiPr2)IrH4 (3d) is even more active (>30-fold more active than (tBu4POCOP)IrH2) and affords nearly 4.6 M alkane products

  无论是双膦和bisphosphinite钳形络合物（吨BU4 PCP）IRH 2和（吨BU4 POCOP）IRH 2可以cocatalyze烷烃与烯烃复分解催化剂的串联复分解，但两种复合物催化过程中具有不同的静止状态，这表明不同的步骤是营业额-在每种情况下都进行限制。这导致了一个假设，即具有中间性质的复合物比这两个物种中的任何一个都具有更高的催化活性。相应地，合成了“杂化”膦-次膦酸盐钳形配体（PCOP）和相应的铱配合物（3c – e）。与烯烃复分解催化剂MoF12串联，吨BU4 PCOP）IRH 2个为复分解显示显著更高的活性Ñ正己烷比确实（吨BU4 PCP）IRH 2或（吨BU4 POCOP）IRH 2。（吨BU2 PCOP我PR2）IRH 4（ 3D）是更有效（> 30倍更有效（吨BU4 POCOP）IRH 2）和，得到近4.6米烷烃产物后，在125℃8小时下进行。
• Isonitrile Coordination to Pincer Iridium Hydrido Chlorides
  作者：E. S. Gulyaeva、E. I. Gutsul、Y. V. Nelyubina、E. S. Osipova、O. A. Filippov、E. S. Shubina、N. V. Belkova

  DOI：10.1134/s1070328423601541

  日期：2024.5

  κ3‑C6H3–2,6-(ZPtBu2)2, where R = H (I–III), EtCO2–(IV), and Z = CH2 (I), CH2, O (II), O (III, IV)), that occurs instantaneously and quantitatively in solution yielding one of possible isomers Ia–IVa. Single crystal X-ray diffraction studies for Ia–IIIa confirmed the apical coordination of isonitrile ligand trans to hydride ligand suggested by NMR studies. Perusal of the structural data suggests stronger

  抽象的 异腈是参与有机合成中许多环加成或多组分反应的有用试剂，这些反应通常由过渡金属络合物催化。作为良好的电子供体，RN=C 键被激活，并且在与亲电子（路易斯酸性）金属中心配位时易于发生亲核攻击。在此，我们探索了t BuNC 与一系列由苯基钳配体支持的氢化氯化铱的络合作用，( \(\textR}}\text-}}}^^t} \textBu}}}}}\textPZCZP}}\) )IrH(Cl) ( \(\textR}}\text-}}}^^t }\textBu}}}}}\textPZCZP}}\) = κ 3 ‑C 6 H 3 –2,6-(ZP t Bu 2 ) 2 ，其中 R = H ( I – III ) 、EtCO 2 –( IV ) 和 Z = CH 2 ( I ), CH 2 , O ( II ), O ( III , IV