[(2R,8R)-8-(tert-Butyl-diphenyl-silanyloxymethyl)-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-2-yl]-methanethiol | 791757-23-8

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: [(2R,8R)-8-(tert-Butyl-diphenyl-silanyloxymethyl)-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-2-yl]-methanethiol
• 英文别名: [(2R,8R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl]methanethiol
• CAS: 791757-23-8
• 化学式: C₂₅H₃₅N₃OSSi
• 分子量: 453.724
• InChiKey: XBAQLYIRLTWXED-NHCUHLMSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  37.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-苯基丙醇甲磺酸盐 、 [(2R,8R)-8-(tert-Butyl-diphenyl-silanyloxymethyl)-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-2-yl]-methanethiol 在 三丁基膦 、 1,1,2,3-四甲基胍 作用下， 反应 0.5h， 生成 (2R,8R)-8-(tert-Butyl-diphenyl-silanyloxymethyl)-2-(3-phenyl-propylsulfanylmethyl)-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine
  参考文献：
  名称：

  Building Blocks for Artificial Anion Receptors: Derivatives of Chiral Bicyclic Guanidines

  摘要：

  Bicyclic guanidinium salts are versatile anchor groups for oxoanions. Their incorporation into modular artificial hosts calls for the reliable accessibility of chiral, regioselectively functionalized derivatives. Here the preparation of an ensemble 6-14 of suitable building blocks is described, which meets these requirements and may be introduced into polytopic receptors by various nucleophilic displacement reactions. The individual members of this class were conveniently prepared in satisfactory yield by functional group manipulation starting from the known differentially protected parent compound 4.

  DOI：

  10.1021/jo00109a041
• 作为产物：
  描述：

  Bis<<(2R,8R)-8-<<(tert-butyldiphenylsilyl)oxy>methyl>-3,4,6,7,8,9-hexahydro-2H-pyrimido<1,2-a>pyrimidinyl>-2-methyl>disulfide bis(hydroiodide) 在 三丁基膦 作用下， 以 甲醇 为溶剂， 反应 0.08h， 生成 [(2R,8R)-8-(tert-Butyl-diphenyl-silanyloxymethyl)-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-2-yl]-methanethiol
  参考文献：
  名称：

  Building Blocks for Artificial Anion Receptors: Derivatives of Chiral Bicyclic Guanidines

  摘要：

  Bicyclic guanidinium salts are versatile anchor groups for oxoanions. Their incorporation into modular artificial hosts calls for the reliable accessibility of chiral, regioselectively functionalized derivatives. Here the preparation of an ensemble 6-14 of suitable building blocks is described, which meets these requirements and may be introduced into polytopic receptors by various nucleophilic displacement reactions. The individual members of this class were conveniently prepared in satisfactory yield by functional group manipulation starting from the known differentially protected parent compound 4.

  DOI：

  10.1021/jo00109a041

文献信息

• Building Blocks for Artificial Anion Receptors: Derivatives of Chiral Bicyclic Guanidines
  作者：Wolfgang Peschke、Petra Schiessl、Franz P. Schmidtchen、Peter Bissinger、Annette Schier

  DOI：10.1021/jo00109a041

  日期：1995.2

  Bicyclic guanidinium salts are versatile anchor groups for oxoanions. Their incorporation into modular artificial hosts calls for the reliable accessibility of chiral, regioselectively functionalized derivatives. Here the preparation of an ensemble 6-14 of suitable building blocks is described, which meets these requirements and may be introduced into polytopic receptors by various nucleophilic displacement reactions. The individual members of this class were conveniently prepared in satisfactory yield by functional group manipulation starting from the known differentially protected parent compound 4.