Cp*Ir(PPh2(2-O-3-(C(CN)2CH(CN)2)-6-MeOC6H2)Cl | 228551-61-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Cp*Ir(PPh2(2-O-3-(C(CN)2CH(CN)2)-6-MeOC6H2)Cl
• 英文别名: chloroiridium(2+);2-diphenylphosphanyl-3-methoxy-6-(1,1,2,2-tetracyanoethyl)phenolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
• CAS: 228551-61-9
• 化学式: C₃₅H₃₁ClIrN₄O₂P
• 分子量: 798.303
• InChiKey: KAHGSLMHJPUXQG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  六氟磷酸钾 、 Cp*Ir(PPh2(2-O-3-(C(CN)2CH(CN)2)-6-MeOC6H2)Cl 以 二氯甲烷 、 丙酮 为溶剂， 以52.8%的产率得到[(Cp*IrPPh2(2-O-3-(C(CN)=C(CN)2)-6-MeOC6H2))2(CN)](PF6)
  参考文献：
  名称：

  Reactions of rhodium(II) and iridium(III) complexes bearing a P,O-coordination with tetracyanoethylene in the presence of KPF6

  摘要：

  Reactions of Cp*M(MDMPP-P,O)Cl (1a: M=Rh, 1b: M=lr; MDMPP-P,O=PPh2(2-O-6-MeOC6H3)) with tetracyanoethylene (tcne) in the presence of KPF6 gave Cp*MCl[PPh2 2-O-3-(C(CN)(2)CH(CN)(2))-6-MeOC6H2 I (2), [{Cp*MPPh2{2-O-3-(C(CN)= C(CN)(2))-6-MeOC6H2}}(2)(CN)](PF6) (3), [{Cp*IrPPh2{2-O-3-(C(CN)=C(CN)(2))-6-MeOC6H2}}(CN){Cp*Ir(MDMPP-P,O)}](PF6) (4b) and [JCp*Ir(MDMPP-P,O)}(2)(CN)](PF6) (5b), depending on the reaction conditions. Reaction of 2 with KPF6 or AgOTf in the absence and presence of xylyl isocyanide (XylNC) gave 3 or [Cp*MCl{PPh2(2-O-3-(C(CN)(2)-CH(CN)(2))-6-MeOC6H2)} (Xy-INC)I(OTf) (6). The structure of 3a (M = Rh) was confirmed by X-ray crystal analysis. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.04.014
• 作为产物：
  描述：

  [(η(5)-pentamethylcyclopentadienyl)IrCl(Ph2PC6H3(O)OMe-2,6-κ(2)P,O)] 、 四氰基乙烯 以 二氯甲烷 为溶剂， 以42.9%的产率得到Cp*Ir(PPh2(2-O-3-(C(CN)2CH(CN)2)-6-MeOC6H2)Cl
  参考文献：
  名称：

  Pentamethylcyclopentadienylrhodium(III) and -iridium(III) Complexes Showing P,O Coordination: Unprecedented Insertion of tcne and tcnq into a C−H Bond

  摘要：

  Strongly electron withdrawing cyanoolefins tetracyanoethylene (tcne) and 7,7,8,8-tetracyano-p-quinodimethane (tcnq) react with [(η5 -C5 Me5 )MCl(MDMPP-P,O)] (M=Rh, Ir; MDMPP-P,O=PPh2 (2-O-6-MeO-C6 H3 ), a P,O chelating phosphane) by insertion into the C-H bond adjacent to the M-O σ bond. The crystal structure of the iridium complex formed upon insertion of tcne is shown.

  DOI：

  10.1002/(sici)1521-3773(19990503)38:9<1242::aid-anie1242>3.0.co;2-c