methyl (3,5-bis[4-(1R,2S)-(2-hydroxy-2-phenyl-1-methylethyliminomethyl)-2,3,5,6-tetrafluorophenyloxy])benzoate | 1242079-37-3

• 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: methyl (3,5-bis[4-(1R,2S)-(2-hydroxy-2-phenyl-1-methylethyliminomethyl)-2,3,5,6-tetrafluorophenyloxy])benzoate
• CAS: 1242079-37-3
• 化学式: C₄₀H₃₀F₈N₂O₆
• 分子量: 786.675
• InChiKey: ZBPWDOURXLMYJN-URIXDTRHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.25
• 重原子数：
  56.0
• 可旋转键数：
  13.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  109.94
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  methyl (3,5-bis[4-(1R,2S)-(2-hydroxy-2-phenyl-1-methylethyliminomethyl)-2,3,5,6-tetrafluorophenyloxy])benzoate 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以90%的产率得到methyl (3,5-bis[4-(1R,2S)-(2-hydroxy-1-methyl-2-phenylethylaminomethyl)-2,3,5,6-tetrafluorophenyloxy])benzoate
  参考文献：
  名称：

  Chiral modification of polyformyl compounds of dendrite type with optically active primary and secondary 1,2-aminoalcohols

  摘要：

  Procedures were developed for preparation of optically active dendrones and dendrimers with terminal 1,2-hydroxylimino, 1,2-hydroxylamino and oxazolidinyl groups containing ether bonds in the branches and ester bonds in the backbone of the macromolecule. The compounds described may serve as chiral ligands for asymmetric metallocomplex catclysis.

  DOI：

  10.1134/s107042801002020x
• 作为产物：
  描述：

  methyl 3,5-bis(4-formyl-2,3,5,6-tetrafluorophenoxy)benzoate 、 左旋去甲麻黄碱 以 甲苯 为溶剂， 以99%的产率得到methyl (3,5-bis[4-(1R,2S)-(2-hydroxy-2-phenyl-1-methylethyliminomethyl)-2,3,5,6-tetrafluorophenyloxy])benzoate
  参考文献：
  名称：

  Chiral modification of polyformyl compounds of dendrite type with optically active primary and secondary 1,2-aminoalcohols

  摘要：

  Procedures were developed for preparation of optically active dendrones and dendrimers with terminal 1,2-hydroxylimino, 1,2-hydroxylamino and oxazolidinyl groups containing ether bonds in the branches and ester bonds in the backbone of the macromolecule. The compounds described may serve as chiral ligands for asymmetric metallocomplex catclysis.

  DOI：

  10.1134/s107042801002020x