| 228551-62-0

• CAS: 228551-62-0
• 化学式: C₄₁H₃₅ClN₄O₂PRh
• 分子量: 785.087
• InChiKey: VPRWJBQKLXQXIC-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

• 作为产物：
  描述：

  (C5Me5)RhCl(PPh2(C6H3-2-(MeO)-6-O)) 、 7,7,8,8-四氰基对苯二醌二甲烷 以 二氯甲烷 为溶剂， 以32%的产率得到
  参考文献：
  名称：

  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

  摘要：

  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' = P{C6H3-2,6-(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.

  DOI：

  10.1021/om000781c

文献信息

• Pentamethylcyclopentadienylrhodium(III) and -iridium(III) Complexes Showing P,O Coordination: Unprecedented Insertion of tcne and tcnq into a C−H Bond
  作者：Yasuhiro Yamamoto、Xiao-Hong Han、Ken-ichiro Sugawara、Saho Nishimura

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

  日期：1999.5.3

  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.