(2,6-bis(trifloromethyl)phenyl)P=CCl2 | 866495-96-7

• 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: (2,6-bis(trifloromethyl)phenyl)P=CCl2
• 英文别名: Ar'P=CCl2；[2,6-Bis(trifluoromethyl)phenyl]-(dichloromethylidene)phosphane
• CAS: 866495-96-7
• 化学式: C₉H₃Cl₂F₆P
• 分子量: 326.993
• InChiKey: RTPNFTZOBNTYSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2,6-bis(trifloromethyl)phenyl)P=CCl2 、 四(三苯基膦)铂 以 苯 为溶剂， 以73%的产率得到trans-[PtCl(ClC=P(2,6-bis(trifluoromethyl)phenyl)(PPh3)2]
  参考文献：
  名称：

  Synthesis and characterisation of the platinum complexes [PtCl(CClPAr)(PPh3)2] and [PtCl(CClPAr′)(PPh3)2] as potential intermediates in the preparation of phosphaalkynes

  摘要：

  Oxidative addition reactions of Cl2C=PR (R = 2,4,6-tris(trifluoromethyl)phenyl (Ar) or 2,6-bis(trifluoromethyl)phenyl (Ar') with Pt(PPh3)(4) yield the cis and trans (at platinum) complexes [PtCl(C=PAr)(PPh3)(2)] and [PtCl(CIC=PAr')(PPh3)(2)]. All starting materials and intermediates have been characterised by NMR spectroscopy. The crystal and molecular structures of the transplatinum complexes have been determined by single-crystal X-ray diffraction at low temperature. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.04.029
• 作为产物：
  描述：

  [2,6-bis(trifluoromethyl)phenyl]-chloro-(dichloromethyl)phosphane 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 (2,6-bis(trifloromethyl)phenyl)P=CCl2
  参考文献：
  名称：

  Synthesis and characterisation of the platinum complexes [PtCl(CClPAr)(PPh3)2] and [PtCl(CClPAr′)(PPh3)2] as potential intermediates in the preparation of phosphaalkynes

  摘要：

  Oxidative addition reactions of Cl2C=PR (R = 2,4,6-tris(trifluoromethyl)phenyl (Ar) or 2,6-bis(trifluoromethyl)phenyl (Ar') with Pt(PPh3)(4) yield the cis and trans (at platinum) complexes [PtCl(C=PAr)(PPh3)(2)] and [PtCl(CIC=PAr')(PPh3)(2)]. All starting materials and intermediates have been characterised by NMR spectroscopy. The crystal and molecular structures of the transplatinum complexes have been determined by single-crystal X-ray diffraction at low temperature. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.04.029