| 1266592-92-0

• CAS: 1266592-92-0
• 化学式: C₂₁H₃₁ClNPPd
• 分子量: 470.331
• InChiKey: AYGFMTKKCXMAFN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  盐酸 、 以 二氯甲烷 、 水 为溶剂， 以92%的产率得到di-μ-chlorobis[1-[2-(di-tert-butulphosphino)phenyl]ethyl-C1,P]dipalladium(II)
  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
• 作为产物：
  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