(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2a]pyrimidine-H)3SiCH3 | 710279-18-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2a]pyrimidine-H)3SiCH3
• 英文别名: [MeSi(C7H12N3)3]；tris(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-methylsilane
• CAS: 710279-18-8
• 化学式: C₂₂H₃₉N₉Si
• 分子量: 457.697
• InChiKey: LNBLIXUOVKKXFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.86
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [nickel(II)(pyridine)4(chloride)2] 、 (1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2a]pyrimidine-H)3SiCH3 以 甲苯 为溶剂， 以37%的产率得到[(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2a]pyrimidine)2 (chloride)2 nickel(II)]
  参考文献：
  名称：

  Intramolecular hydrogen bonding in complexes containing bicyclic guanidine ligands

  摘要：

  A series of complexes with the general formula MX2(hppH)(2) [hppH = 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-alpha]pyrimidine: 1, M = Mn, X = Cl; 2, M = Fe, X = Cl; 3, M = Ni, X = Cl; 4 M = Zn, X = Br] have been synthesized and structurally characterized. In all cases, the neutral guanidine ligand bonds through the imine nitrogen atom to a tetrahedral metal centre, with additional interaction between the secondary amino NH and the metal bound halide. The intramolecular hydrogen bonding gives two isomeric forms in the solid-state, referred to as Delta and Lambda, which co-crystallize in the unit cell. An example of intramolecular hydrogen bonding from the neutral hppH to oxygen within the dimeric core lithiated siloxide, [Ph3SiOLi(hppH)(THF)](2) (5), is also reported. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.08.038
• 作为产物：
  描述：

  甲基三氯硅烷 、 1,5,7-三氮杂双环[4.4.0]癸-5-烯 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 (1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2a]pyrimidine-H)3SiCH3
  参考文献：
  名称：

  Poly(guanidyl)silanes as a new class of chelating, N-based ligand

  摘要：

  一系列聚（胍基）硅烷 RnSi{hpp}4−n [hpp = 1,3,4,6,7,8-六氢-2H-嘧啶[1,2-a]嘧啶酸盐; R = Me, n = 1, 2; R = Ph, n = 1] 已被合成，并研究了其与铜(I)卤化物的配位行为。

  DOI：

  10.1039/b402718c