[Ir(-CH=CHNEt3)(η4-CH2=CHCH=CH2)(PPh3)2]OTf | 540535-67-9

• 英文名称: [Ir(-CH=CHNEt3)(η4-CH2=CHCH=CH2)(PPh3)2]OTf
• CAS: 540535-67-9
• 化学式: CF₃O₃S*C₄₈H₅₃IrNP₂
• 分子量: 1047.19
• InChiKey: WURVVOFINNMNQC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  [Ir(-CH=CH2)2(NCCH3)2(PPh3)2]OTf 、 三乙胺 、 乙炔 以 氯仿 为溶剂， 以98%的产率得到[Ir(-CH=CHNEt3)(η4-CH2=CHCH=CH2)(PPh3)2]OTf
  参考文献：
  名称：

  Carbon−Carbon Bond Formation between Adjacent Alkenyl Ligands:  η³-Allyl Iridium(III) and η⁴-Butadiene Iridium(I) Complexes from a cis-Bis(alkenyl) Iridium(III) Complex

  摘要：

  A carbon-carbon bond is formed between the a-carbons of the alkenyl ligands of the cis-bis(ethenyl)iridium complex [Ir(-CH=CH2)(2)(CH3CN)(2)(PPh3)(2)](+) (2) to produce the eta(3)-allyl complex [Ir(eta(3)-CH3CHCHCH2)(NCCH3)(2)(PPh3)(2)](2+) (4) in the reaction of 2 with H+, and eta(4)- butadiene complexes Ir(eta(4)-CH2=CHCH=CH2)(A)(PPh3)(2) (A = -CH=CH-+NEt3 (6), -Cequivalent to CR (7)) in reactions of 2 with terminal alkynes (RCequivalent toCH; R = H, Ph, and p-C6H4CH3) in the presence of NEt3. The deuterium labeling experiments suggest an initial attack of H+ on the beta-carbon of an ethenyl ligand to lead to the C-C bond formation between the alpha-carbons of the two alkenyl groups of 2 to produce 4.

  DOI：

  10.1021/om030090r