tris-{(P)-2-[1-(2'-benzyloxy-4',6'-dimethylphenyl)]naphthymethyl}amine | 611175-01-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: tris-{(P)-2-[1-(2'-benzyloxy-4',6'-dimethylphenyl)]naphthymethyl}amine
• 英文别名: tris-{(M)-2-[1-(2'-benzyloxy-4',6'-dimethylphenyl)]naphthymethyl}amine；1-[1-(2,4-dimethyl-6-phenylmethoxyphenyl)naphthalen-2-yl]-N,N-bis[[1-(2,4-dimethyl-6-phenylmethoxyphenyl)naphthalen-2-yl]methyl]methanamine
• CAS: 611175-01-0
• 化学式: C₇₈H₆₉NO₃
• 分子量: 1068.41
• InChiKey: ZPBWISYLVVZJIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20
• 重原子数：
  82
• 可旋转键数：
  18
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  30.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tris-{(P)-2-[1-(2'-benzyloxy-4',6'-dimethylphenyl)]naphthymethyl}amine 在 三氯化硼 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 反应 1.0h， 以97%的产率得到tris-{(P)-2-[1-(2'-hydroxy-4',6'-dimethylphenyl)]naphthymethyl}amine
  参考文献：
  名称：

  Atropo-enantioselective synthesis of a C3-symmetric tripodal ligand with three axially chiral biaryl subunits

  摘要：

  In contrast to the numerous successful applications of C-2-symmetric biaryls as powerful tools for asymmetric synthesis, there have so far been only few reports on combinations of C-3-symmetry with axial chirality. We present here the first enantioselective synthesis of a novel family of tripodal ligands containing three axially chiral biaryl subunits in an (M,M,M)- or, optionally, (P,P,P)-configured form. The incorporation of a PCl2- and a TiCl-fragment into the central cavity was achieved. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00406-3
• 作为产物：
  描述：

  (M)-2-bromomethyl-1-(2'-benzyloxy-4',6'-dimethylphenyl)naphthalene 在 氨 、 氯化铵 作用下， 以 甲苯 为溶剂， 反应 60.0h， 生成 tris-{(P)-2-[1-(2'-benzyloxy-4',6'-dimethylphenyl)]naphthymethyl}amine
  参考文献：
  名称：

  Atropo-enantioselective synthesis of a C3-symmetric tripodal ligand with three axially chiral biaryl subunits

  摘要：

  In contrast to the numerous successful applications of C-2-symmetric biaryls as powerful tools for asymmetric synthesis, there have so far been only few reports on combinations of C-3-symmetry with axial chirality. We present here the first enantioselective synthesis of a novel family of tripodal ligands containing three axially chiral biaryl subunits in an (M,M,M)- or, optionally, (P,P,P)-configured form. The incorporation of a PCl2- and a TiCl-fragment into the central cavity was achieved. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00406-3