[PtCl2(2-CH2CMeC6H3(4-OMe)P(C6H2(4-OMe)(5-Cl)(2-iPr))2)] | 1073295-96-1

• 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: [PtCl2(2-CH2CMeC6H3(4-OMe)P(C6H2(4-OMe)(5-Cl)(2-iPr))2)]
• 英文别名: bis(5-chloro-4-methoxy-2-propan-2-ylphenyl)-(4-methoxy-2-prop-1-en-2-ylphenyl)phosphane;platinum(2+);dichloride
• CAS: 1073295-96-1
• 化学式: C₃₀H₃₅Cl₄O₃PPt
• 分子量: 811.472
• InChiKey: IZECKYZVWMYWSU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  磺酰氯 、 [Pt2Cl2(2-CMe2C6H3(4-OMe)P(C6H4(2-iPr)(4-OMe))2)2] 以 甲苯 为溶剂， 以67%的产率得到[PtCl2(2-CH2CMeC6H3(4-OMe)P(C6H2(4-OMe)(5-Cl)(2-iPr))2)]
  参考文献：
  名称：

  Oxidative Dehydrogenation of Tris(o-isopropylphenyl)phosphines by Platinum Complexes

  摘要：

  The binuclear cyclometalates [Pt2Cl2{2-CMe2C6H4P(C6H4(2-Pr-i))(2)}(2)] (1a) and [Pt2Cl2{2-CMe2C6H3(4-OMe)P(C6H3(2-Pr-i)(4-OMe))(2)}(2)] (1b) react with CHCl2CHCl2 to give the corresponding mononuclear phosphine-alkene chelates [PtCl2{2-CH2=CMeC6H4P(C6H4(2-Pr-i))(2)}] (2a) and [PtCl2{2-CH2=CMeC6H3(4-OMe)P(C6H3(2-Pr-i)(4-OMe))(2)}] (2b). The product 2a can also be formed directly from [PtCl2((NCBu)-Bu-t)(2)] and L-a in CHCl2CHCl2 or by addition of SO2Cl2 to 1a. Addition of an excess of SO2Cl2 to 1b gave [PtCl2{2-CH2=CMeC6H3(4-OMe)P(C6H2(2-Pr-i)(4-OMe)(5-Cl))(2)}] (3b), a derivative of 2b featuring meta-chlorine substituents on the terminal P groups as a result of electrophilic aromatic substitution. A mechanism for the conversion of 1a,b to 2a,b is proposed involving an electrophilic alkyl C-H activation by a coordinatively unsaturated platinum(IV) species. The mechanism is supported by the isolation of the diplatinum(IV) cyclometalate [Pt2Cl2{2-CH2C6H3(4-OMe)P(C6H3(2-Me)(4-OMe))(2)}] as a mixture of syn and anti isomers 5b and 5b'. The crystal structures of 2a and 3b have been determined.

  DOI：

  10.1021/om800382m