[(η(5)-pentamethylcyclopentadienyl)IrCl(Ph2PC6H3(O)OMe-2,6-κ(2)P,O)] | 228551-59-5

• 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: [(η(5)-pentamethylcyclopentadienyl)IrCl(Ph2PC6H3(O)OMe-2,6-κ(2)P,O)]
• 英文别名: [(C5(CH3)5)IrCl(κO-1-O-κP-2-P(C6H5)2-3-CH3OC6H3)]；(pentamethylcyclopentadienyl)IrCl(PPh2(C6H3-2-O-6-MeO)-P,O)；[(C5Me5)IrCl(PPh2(C6H3-2-MeO-6-O))]；[(C5Me5)IrCl(Ph2P(2-O-6MeOC6H3)]；Cp*Ir(PPh2(2-O-6-MeOC6H3)Cl；chloroiridium(2+);2-diphenylphosphanyl-3-methoxyphenolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
• CAS: 228551-59-5
• 化学式: C₂₉H₃₁ClIrO₂P
• 分子量: 670.211
• InChiKey: AZQMWUQJRPGLDA-UHFFFAOYSA-L

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：

  [(η(5)-pentamethylcyclopentadienyl)IrCl(Ph2PC6H3(O)OMe-2,6-κ(2)P,O)] 、 lithium 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane 以 二氯甲烷 为溶剂， 以40.2%的产率得到
  参考文献：
  名称：

  Unprecedented Formation of Dinuclear Macrocyclic Complexes by Insertion of 2,3,5,6‐Tetrafluoro‐7,7,8,8‐tetracyanoquinodimethane (F4‐Tcnq) into a C−H Bond and Subsequent Coordination to Metal Atoms

  摘要：

  DOI：

  10.1002/1099-0682(200209)2002:9<2447::aid-ejic2447>3.0.co;2-#
• 作为产物：
  描述：

  bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 (2,6-dimethoxyphenyl)diphenylphosphine 以 甲醇 为溶剂， 以41.7%的产率得到[(η(5)-pentamethylcyclopentadienyl)IrCl(Ph2PC6H3(O)OMe-2,6-κ(2)P,O)]
  参考文献：
  名称：

  双[二氯（η5-五甲基环戊二烯基）铱（III）]与含有邻甲氧基的大体积高碱性芳族膦的反应

  摘要：

  [Cp * IrCl 2 ] 2 1（Cp * = C 5 Me 5）与（2,6-二甲氧基苯基）二苯基膦（MDMPP）在室温下反应，得到单触复合物[Cp * IrCl 2（MDMPP- P）]在图2a中，与双（2,6-二甲氧基苯基）苯基膦（BDMPP）的反应导致一分子CH 3 Cl的损失，从而得到Cp * IrCl [P（C 6 H 3 -2-O-6-OMe）{ ç 6 ħ 3 -2,6-（MEO）2 } PH]（=的Cp *的IrCl（BDMPP-κ 2 P，ö）3B与螯合的P，O配位，通过X射线分析确定其结构：a = 15.994（3）Å，b = 10.471（2）Å，c = 17.727（3）Å，β = 94.12（1）°，单斜晶，P 2 1 / ñ，ž = 4，- [R = 0.032。三（2,6-二甲氧基苯基）膦（TDMPP）与1反应生成Cp * Ir [P（C 6 H 3 -2-O-6-OMe）2

  DOI：

  10.1016/s0022-328x(99)00271-5

文献信息

• Metal-assisted preparation of the alkenyl ketone and carbonyl complexes from 1-alkyne and H2O: C–C triple bond cleavage of terminal alkyne
  作者：Kenichi Ogata、Jyoji Seta、Kenichiro Sugawara、Naoko Tsutsumi、Yasuhiro Yamamoto、Katsuaki Kuge、Kazuyuki Tatsumi

  DOI：10.1016/j.ica.2005.12.003

  日期：2006.3

  five-membered ring structures bound by the carbon and oxygen atoms of the alkenyl ketone group. Similar reactions of Cp*IrCl2(PPh3) (6) or (C6Me6)RuCl2(PPh3) (7) proceeded with a cleavage of C–C triple bond of 1-alkyne without formation of an alkenyl ketone complex, affording the corresponding carbonyl complexes, [Cp*IrCl(PPh3)(CO)](PF6) (8) or [(C6Me6)RuCl(PPh3)(CO)](PF6) (9). The diphosphine complexes [(Cp*MCl2)2μ-diphos}]

  摘要在KPF6的存在下，CP * RhCl2（PPh3）（1）与1-炔和H2O生成烯基酮配合物[CP * Rh（CR CHCOCH2R）（PPh3）]（PF6）（2）（R = Ph（ a），C 6 H 4 -p-Me（b），C 6 H 4 -p-COOMe（c），C 6 H 4 -p-NO 2（d））。通过使用CP * RhCl2（PMePh2）获得类似的络合物[CP * Rh（CPh CHCOCH2Ph）（PMePh2）]（PF6）（2e）。通过2b，2c和2e的X射线分析表明，络合物2由五元环结构组成，该五元环结构被烯基酮基团的碳原子和氧原子束缚。CP * IrCl2（PPh3）（6）或（C6Me6）RuCl2（PPh3）（7）的相似反应进行了1-炔烃的CC三键裂解，而没有形成烯基酮配合物，提供了相应的羰基配合物，[CP * IrCl（PPh3）（CO）]（PF6）（8）或[（C6Me
• Facile C–N cleavage reactions of secondary and tertiary alkyl amines by P,O chelating rhodium and iridium complexes
  作者：Yasuhiro Yamamoto、Jouji Seta、Hiroshi Murooka、Xiao-Hong Han

  DOI：10.1016/s1387-7003(02)00730-x

  日期：2003.2

  Abstract The reactions of Cp*MCl(MDMPP-P,O) (1: M=Rh; 3: M=Ir; MDMPP-P,O=PPh2(C6H3-2-O-6-MeO)) with secondary or tertiary alkyl amine (R2NH or R3N) in the presence of KPF6 underwent a C–N cleavage of amine to afford primary amine complex [Cp*M(MDMPP-P,O) (RNH2)](PF6) (2: M=Rh; 4: M=Ir).

  摘要 Cp*MCl(MDMPP-P,O) (1: M=Rh; 3: M=Ir; MDMPP-P,O=PPh2(C6H3-2-O-6-MeO)) 与仲或叔的反应烷基胺（R2NH 或 R3N）在 KPF6 存在下进行胺的 C-N 裂解，得到伯胺复合物 [Cp*M(MDMPP-P,O) (RNH2)](PF6) (2: M=Rh; 4：M=Ir）。
• Novel single or double insertion of alkynes into rhodium– and iridium–oxygen or –phosphorus atom bonds and transannular addition of 1-alkynes between the rhodium atom and the ipso-carbon atom of the phosphorus ligand
  作者：Yasuhiro Yamamoto、Kenichiro Sugawara、Xiao-Hong Han

  DOI：10.1039/b104811m

  日期：2002.1.9

  the phosphine ligand and a cleavage of the Rh–O bond. Reaction with 2a afforded 10a, derived from a transannular addition of 1-alkyne between the Rh atom and the ipso-carbon atom of the phosphine ligand. Reactions of 9 with CO or isocyanides (L) in the presence of KPF6 or Ag(CF3SO3) gave [Cp*Rh(L)PPh2(C6H3-2-(MeO)-6-(OC(COOR)C(COOR)))}]X (L = XylNC, MesNC, CO; X = PF6, CF3SO3). Structural data for some

  Cp * MCl（MDMPP- P，O）（1a：M = Rh; 1b：M = Ir; MDMPP- P，O = P Ph 2（C 6 H 3 -2-MeO-6- O））的反应Cp * MCl（BDMPP- P，O）（2a：M = Rh; 2b：M = Ir; BDMPP- P，O = P Ph（C 6 H 3 -2,6-（MeO）2）（C 6 H 3 -2-（MeO）-6- O））与1-炔烃在KPF 6的存在下进行。配合物1a与HC CR反应（R = Ph，对甲苯基）得到[Cp * Rh P Ph 2（C 6 H 3 -2-（MeO）-6-（O -CR CHCH C R））}] （PF 6）5带有（P，O，C）三齿配体，其衍生自1-炔烃的头对头二聚化，而与n BuC CH的反应产生了头对尾双插入复合物6，但是1b在MeOH中的反应生成卡宾配合物[Cp * Ir PPh 2（C 6 H
• Novel insertion of ethynylbenzene derivatives bearing an electron-withdrawing substituent at the 4-position into a P–C bond and their transannular insertion between a metal atom and an ipso-carbon atom of the phosphine ligand †
  作者：Yasuhiro Yamamoto、Kenichiro Sugawara

  DOI：10.1039/b004984k

  日期：——

  Reactions of Cp*MCl(P–O) (M = Rh, Ir) bearing P–O coordination with ethynylbenzene derivatives having an electron-withdrawing group in the presence of a PF6 anion result in either insertion into a P–C bond or a transannular addition between a metal and an ipso-carbon of the phosphine.

  带有 PâO 配位的 Cp*MCl(PâO)（MÂ = Rh、Ir）在 PF6 阴离子存在的情况下，与带有抽电子基团的乙炔苯衍生物发生反应，导致插入 PâC 键或金属与膦的同碳之间发生反烷加成反应。
• Insertion of Strongly Electron Withdrawing Cyanoolefins into the C−H Bond in Pentamethylcyclopentadienyl−Rhodium(III) and −Iridium(III) Complexes Containing P−O or P−O−O‘ Coordinations
  作者：Yasuhiro Yamamoto、Xiao-Hong Han、Saho Nishimura、Ken-ichiro Sugawara、Nobumichi Nezu、Tomoaki Tanase

  DOI：10.1021/om000781c

  日期：2001.1.1

  Complexes Cp*MCl(MDMPP-P, O) (1a: M = Rh, 1b: M = Ir; eta (5)-C5Me5; MDMPP-P,O = PPh2(C6H3-2-O-6-MeO)) readily react with tcne or tcnq to form the 1:1 adducts [Cp*MCl(MDMPP-P, O)(ol)] (ol = tcne (c), tcnq (d)) (3ac: M = Rh, ol = tcne; 3bc: M = Ir, ol = tcne; 4ad: M = Rh, ol = tcnq; 4bd: M = Ir, ol = tcnq), derived from insertion of cyanoolefins into the C-H bond adjacent to the metal-O bond. Complex Cp*Ir(TDMPPP,O,O') 2b (TDMPP-P,O,O' = PC6H3-2,6-(MeO)(2)}(C6H3-2-O-6-MeO)(2)) bearing a (P,O,O') coordination was treated with 1 equiv of tcne, tcnq, or Me-2-tcnq (e) to give the products in which one molecule of cyanoolefin was inserted, [Cp*Ir(TDMPP-P, O, O')(ol)] (5bc: ol = tcne; 6bd: ol = tcnq; 6be: ol = Me-2-tcnq). Reactions with 2 equiv of cyanoolefin gave the products [Cp*Ir(TDMPP-P,O, O')(ol)(2)] (7bc: ol = tcne; 8bd: ol = tcnq), in which insertion occurred at two C-H positions adjacent to the Ir-O bonds. Structural data for 3ac, 3bc, 4ad, 5bc, and 7bc are described.