trans-[Pt(C6H4Me-p)(SC6H4OCH3-p)(PPh3)2] | 876621-18-0

• 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: trans-[Pt(C6H4Me-p)(SC6H4OCH3-p)(PPh3)2]
• 英文别名: 4-methoxybenzenethiolate;methylbenzene;platinum(2+);triphenylphosphane
• CAS: 876621-18-0
• 化学式: C₅₀H₄₄OP₂PtS
• 分子量: 949.992
• InChiKey: FJSGPSHVCNKERV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  10.28
• 重原子数：
  55
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  10.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-辛炔 、 trans-[Pt(C6H4Me-p)(SC6H4OCH3-p)(PPh3)2] 在 三苯基膦 作用下， 以 氘代甲苯 为溶剂， 以36%的产率得到Pt(1-octyne)(PPh3)2
  参考文献：
  名称：

  Platinum-Catalyzed Reaction of Alkynes with ArI (Ar = aryl and thienyl) and Ar‘SM (M = Na, K, and Sn(Bu-n)₃):  Three- vs Two-Component Cross-Coupling Reaction

  摘要：

  The Pt-catalyzed reactions of terminal alkynes HCCR (2) with ArI (6) (Ar = aryl and thienyl) and Ar'SM (M = Li, Na, K, and Sn(n-Bu-3)) (7) have been examined. Among them, the combined use of 2- and 3-iodothiophene with PhSK resulted in the formation of (Z)-Ar(H)C=C(SAr')(R) (5) in moderate to good yields. When aryl iodide was employed as a coupling partner, thioether ArSAr' (4), a direct cross-coupling product between 6 and 7, was competitively produced together with 5. The ratios of formation of 514 were significantly dependent on the substituent in Ar of 6 and Ar' of 7 as well as species of 2. The mechanistic study indicated that 4 was produced by the alkyne-participated reaction of 6 with Pt(Ar)(SAr')(PPh3)(2) (1).

  DOI：

  10.1021/om050340z