dicyclohexyl(CH2CH2(CF2)5CF3)phosphine | 250784-46-4

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: dicyclohexyl(CH2CH2(CF2)5CF3)phosphine
• 英文别名: Dicyclohexyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane
• CAS: 250784-46-4
• 化学式: C₂₀H₂₆F₁₃P
• 分子量: 544.379
• InChiKey: QISMPFOIDZPVHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  (2-methyl-4-phenyl-1-oxabuta-1,3-diene)tricarbonyliron(0) 、 dicyclohexyl(CH2CH2(CF2)5CF3)phosphine 以 四氢呋喃 为溶剂， 以66%的产率得到tricarbonylbis(dicyclohexyl(CH2CH2(CF2)5CF3)phosphine)iron
  参考文献：
  名称：

  Synthetic and thermochemical studies of fluorinated tertiary phosphine ligands R2PRf [R=Cy, Ph, iPr; Rf=CH2CH2(CF2)5CF3] in an organoiron system

  摘要：

  The fluorinated phosphine ligands [PR2Rf (R = Cy (2); Pr-i, (3); Ph, (4); R-f = CH2CH2(CF2)(5)CF3] react with Fe(CO)(3)(BDA) (1) (BDA = (C6H5)CH = CHC(O)CH3, benzylideneacetone) to yield the corresponding Fe(CO)(3)(PR2Rf)(2) = (R = Cy, (5) Pr-i, (6) Ph, (7)) complexes. Infrared studies on the carbonyl complexes and solution calorimetry studies of the reaction of 1 with 2, 3 and 4 have been performed to quantify the donor strength of this series of ligands. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00600-3

文献信息

• Synthetic, Thermochemical, and Catalytic Studies of Fluorinated Tertiary Phosphine Ligands R₂PR_f [R = Cy, Ph, ⁱPr; R_f = CH‘₂CH₂(CF₂)₅CF₃] in Rhodium Systems
  作者：Dale C. Smith、Edwin D. Stevens、Steven P. Nolan

  DOI：10.1021/ic990430u

  日期：1999.11.1

  The fluoroalkylphosphine compounds PR2Rf (R = Cy (1); Pr-i (2); R-f = CH2CH2(CF2)(5)CF3) have been prepared from the reactions of the Grignard reagent IMgRf and appropriate ClPR2 (R = Cy, Pr-i). The fluorinated phosphine ligands [PR2Rf (R = Cy (1); Pr-i (2); Ph (3); R-f = CH2CH2(CF2)(5)CF3] react with [Rh(CO)(2)Cl](2) to yield the corresponding [Rh(CO)Cl(PR2Rf)(2)] (R = Cy (4); Pr-i (5); Ph (6)) complexes. Infrared studies on the carbonyl complexes and solution calorimetry studies of the reaction of (Rh(CO)(2)Cl](2) with PR2Rf (R = Ph, Pr-i, Cy) have been used to quantify the relative ligand donor strength for the series: PCy2Rf approximate to (PPr2Rf)-Pr-i > PPh2Rf. The solid-state crystal structure of [Rh(CO)Cl(PPh2Rf)(2)] (6) is reported. Additionally, these partially fluorinated phosphine ligands (1 and 3) can be used as supporting ligation in rhodium-mediated hydrogenation reactions.