Di-t-butyl-o-ethylphenylphosphin | 35823-27-9

• 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: Di-t-butyl-o-ethylphenylphosphin
• 英文别名: di-tert-butyl-ortho-ethylphenylphosphine；Ditert-butyl-(2-ethylphenyl)phosphane；ditert-butyl-(2-ethylphenyl)phosphane
• CAS: 35823-27-9
• 化学式: C₁₆H₂₇P
• 分子量: 250.364
• InChiKey: YSIMTRCSRYWTPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  吡啶 、 Di-t-butyl-o-ethylphenylphosphin 、 palladium diacetate 、 lithium chloride 以 甲醇 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  First enantiopure phosphapalladacycle with a palladium bonded stereogenic carbon as the sole chirality source

  摘要：

  First enantiomerically pure phosphapalladacycle bearing an asymmetric carbon directly bonded to a palladium atom as a single chirality source was prepared by the resolution of racemic dimer {Pd(eta(2)-L) (mu-Cl)}(2) (1), where L = 2-(Bu2PC6H4CHMe)-P-t, using (R,R)-stilbendiamine as an auxiliary ligand. Double recrystallization of a 1:1 mixture of diastereomers (S,RR)-4a and (R,RR)-4b from MeCN affords one of them, (S,RR)-4a, as a single isomer (>98% de, P-31{H-1} NMR data). Another diastereomerically pure complex, (R,SS)-4c, was isolated by the same method using (S,S)-stilbendiamine as a resolving agent. This diastereorner (R,SS)-4c was converted into the enantiopure dimer (R,R)-1 (>98% ee, P-31{H-1) NMR data) by the diamine protonation with dilute acetic acid at similar to 5 degrees C. Dimer (R,R)-1 is configurationally stable at high temperatures up to at least 110 degrees C. The absolute configuration of the C*-stereocenter in dimer (S,S)-1 was established by an X-ray diffraction study of its precursor (S,RR)-4a. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.09.024