| 146108-04-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 146108-04-5
• 化学式: C₃₀H₂₇I₂NP₂Pd
• 分子量: 823.728
• InChiKey: XXASVTSRWQPVRW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  7.92
• 重原子数：
  36.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  15.79
• 氢给体数：
  1.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  吡咯 、 palladium diacetate 、 1,1-双(二苯基膦)乙烯 、 sodium iodide 以 甲醇 、 二氯甲烷 为溶剂， 生成 、
  参考文献：
  名称：

  Use of Michael additions to (Ph₂P)₂CCH₂complexes to prepare thiophene- and pyrrole-functionalised metal–phosphine complexes

  摘要：

  The complex [Pd(O2CMe)2(vdpp)] la [vdpp = (Ph2P)2C=CH2] undergoes nucleophilic addition at the double bond with primary alcohols to afford [Pd(O2CMe)2{(Ph2P)2CHCH2OR}] 2 [R = Me, Et, CH2CH2C4H3S-3 or CH2C6H3(OMe)2-3,4]. These were not isolated pure, but metathesis with NaI gave the corresponding diiodides 3, which were isolated, and have been fully characterised by microanalysis and infrared and NMR (H-1 and P-31-{H-1}) spectroscopies. By using 2- (3-thienyl)ethanol as the nucleophile, the complex [PdI2{(Ph2P)2CHCH2OCH2CH2C4H3S-3)] 3c was obtained, and its electrochemistry examined. The reactivity of the double bond in 1a towards other potential weak nucleophiles has been examined. In particular, pyrrole underwent electrophilic addition with la to give, after work-up with NaI, [PdI2{(Ph2P)2CHCH2C4H3NH}]4b. Proton NMR spectroscopy established that 4b was a mixture of 2- and 3-pyrrole isomers (ca. 3: 1). The complexes [MCl2(vdpp)] (M = Pd 1c or Pt 1d) were less reactive, but underwent addition with alcohols in the presence of NEt3 as catalyst to afford [MCl2{(Ph2P)2CHCH2OR}] (M = Pd 5 or Pt 6, R = Et or CH2CH2C4H3S-3). The complex [Pt(vdpp)2][PF6]2 7 has been prepared from [PtCl2(PhCN)2], vdpp and AgPF6 in dichloromethane-acetonitrile. Details of the reaction of 7 with 2- (3-thienyl)ethanol are given. The crystal structure of 3c has been determined.

  DOI：

  10.1039/dt9920003403