[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,38,40,42,44,46,48-heptahydroxy-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-39,41,43,45,47,49-hexakis-(4-methylphenyl)sulfonyloxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-37-yl] 4-methylbenzenesulfonate | 122566-69-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,38,40,42,44,46,48-heptahydroxy-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-39,41,43,45,47,49-hexakis-(4-methylphenyl)sulfonyloxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-37-yl] 4-methylbenzenesulfonate
• CAS: 122566-69-2
• 化学式: C₉₁H₁₁₂O₄₉S₇
• 分子量: 2214.32
• InChiKey: BDKIZTJSGSNYGM-DIGWTISLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  147
• 可旋转键数：
  28
• 环数：
  28.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  775
• 氢给体数：
  14
• 氢受体数：
  49

反应信息

• 作为产物：
  描述：

  在 三氟化硼乙醚 作用下， 以 氯仿 为溶剂， 生成 [(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,38,40,42,44,46,48-heptahydroxy-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-39,41,43,45,47,49-hexakis-(4-methylphenyl)sulfonyloxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-37-yl] 4-methylbenzenesulfonate
  参考文献：
  名称：

  β-环糊精仲羟基OH-2的首次选择性全甲苯磺酸化

  摘要：

  使用叔丁基二甲基甲硅烷基基团来选择性地保护主要的OH-6官能团允许次要的OH-2官能团的容易的区域选择性的全甲苯磺酸化。叔丁基二甲基甲硅烷基可以被去除而不会破坏甲苯磺酰基的功能。

  DOI：

  10.1016/0040-4039(91)80609-a

文献信息

• The first selective per-tosylation of the secondary OH-2 of β-cyclodextrin
  作者：Anthony W. Coleman、Ping Zhang、He´le`ne Parrot-Lopez、Chang-Chun Ling、Marcel Miocque、Line Mascrier

  DOI：10.1016/0040-4039(91)80609-a

  日期：1991.8

  Use of the t-butyl dimethylsilyl group to selectively protect the primary OH-6 function allows the facile regioselective per-tosylation of the secondary OH-2 function. The t-butyldimethylsilyl group can be removed without attack at the tosyl function.

  使用叔丁基二甲基甲硅烷基基团来选择性地保护主要的OH-6官能团允许次要的OH-2官能团的容易的区域选择性的全甲苯磺酸化。叔丁基二甲基甲硅烷基可以被去除而不会破坏甲苯磺酰基的功能。