(E)-(1-(2,4,6-tri-tert-butylphenyl)(2-benzyl-2-methyl-1-phosphaethene)) | 1211351-69-7

• 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: (E)-(1-(2,4,6-tri-tert-butylphenyl)(2-benzyl-2-methyl-1-phosphaethene))
• 英文别名: 1-Phenylpropan-2-ylidene-(2,4,6-tritert-butylphenyl)phosphane
• CAS: 1211351-69-7
• 化学式: C₂₇H₃₉P
• 分子量: 394.58
• InChiKey: ASPATRDXALSBEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (tetrahydrothiophene)gold(I) chloride 、 (E)-(1-(2,4,6-tri-tert-butylphenyl)(2-benzyl-2-methyl-1-phosphaethene)) 以 二氯甲烷 为溶剂， 以72%的产率得到(E)-chlorogold(I)(1-(2,4,6-tri-tert-butylphenyl)2-benzyl-2-methyl-1-phosphaethene)
  参考文献：
  名称：

  Ligand effect of bulky 2,2-dialkyl-1-phosphaethenes on Au-catalyzed cycloisomerization of 1,6-enynes and lactonization of pent-4-ynoic acids

  摘要：

  2,2-Dimethyl- and 2-benzyl-2-methyl-1-(2,4,6-tri-tert-butylphenyl)-1-phosphaethenes were employed as ligand of mononuclear chlorogold(I) complexes, which catalyzed cycloisomerization of 1,6-enyne affording vinylcyclopentene exclusively in the absence of silver co-catalyst. The reaction mechanisms are discussed based on DFT calculations. In addition to the cycloisomerization, the phosphaalkene-chlorogold(I) complexes catalyzed cyclization of pent-4-ynoic acids providing gamma-methylene-gamma-lactones under basic conditions. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.09.040
• 作为产物：
  描述：

  碘甲烷 、 (1-bromo-2-phenylethylidene)-(2,4,6-tritert-butylphenyl)phosphane 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.08h， 以86%的产率得到(E)-(1-(2,4,6-tri-tert-butylphenyl)(2-benzyl-2-methyl-1-phosphaethene))
  参考文献：
  名称：

  Ligand effect of bulky 2,2-dialkyl-1-phosphaethenes on Au-catalyzed cycloisomerization of 1,6-enynes and lactonization of pent-4-ynoic acids

  摘要：

  2,2-Dimethyl- and 2-benzyl-2-methyl-1-(2,4,6-tri-tert-butylphenyl)-1-phosphaethenes were employed as ligand of mononuclear chlorogold(I) complexes, which catalyzed cycloisomerization of 1,6-enyne affording vinylcyclopentene exclusively in the absence of silver co-catalyst. The reaction mechanisms are discussed based on DFT calculations. In addition to the cycloisomerization, the phosphaalkene-chlorogold(I) complexes catalyzed cyclization of pent-4-ynoic acids providing gamma-methylene-gamma-lactones under basic conditions. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.09.040