| 246868-88-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 246868-88-2
• 化学式: C₁₄H₁₆O₄S
• 分子量: 280.345
• InChiKey: DGVBNHVWNAXUHB-LLVKDONJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.58
• 重原子数：
  19.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Synthesis, conformation analysis and catalytic properties of chiral zirconium complexes containing etherfunctionalized Cp ligands

  摘要：

  A novel series of chiral ligands was synthesized having a cyclopentadienyl (Cp) ring attached to an ether moiety. Four chiral monoCp zirconium derivatives contain these ligands in a bidentate Cp/O coordination mode. Complexes 4d, 6d, and 7d bear an aryl group at the end of the ether chain. The racemic complexes 3d and 4d show moderate activity for the polymerisation of ethylene. Complexes 6d and 7d are enantiopure and were used as asymmetric Lewis acid catalysts for the hydrocyanation of benzaldehyde. The negligible enantiomeric excess thereby is due to decomplexation of the weakly coordinated aryl ether side-chains during catalysis. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00164-3
• 作为产物：
  描述：

  (R)-(-)-ethyl 2-(naphthalen-1-yloxy)propionate 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 6.5h， 生成
  参考文献：
  名称：

  Synthesis, conformation analysis and catalytic properties of chiral zirconium complexes containing etherfunctionalized Cp ligands

  摘要：

  A novel series of chiral ligands was synthesized having a cyclopentadienyl (Cp) ring attached to an ether moiety. Four chiral monoCp zirconium derivatives contain these ligands in a bidentate Cp/O coordination mode. Complexes 4d, 6d, and 7d bear an aryl group at the end of the ether chain. The racemic complexes 3d and 4d show moderate activity for the polymerisation of ethylene. Complexes 6d and 7d are enantiopure and were used as asymmetric Lewis acid catalysts for the hydrocyanation of benzaldehyde. The negligible enantiomeric excess thereby is due to decomplexation of the weakly coordinated aryl ether side-chains during catalysis. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00164-3