2-trimethylsilyl-5-methyl-1,3,5-dithiazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环化合物
• 英文名称: 2-trimethylsilyl-5-methyl-1,3,5-dithiazine
• 英文别名: trimethyl-(5-methyl-1,3,5-dithiazinan-2-yl)silane
• 化学式: C₇H₁₇NS₂Si
• 分子量: 207.436
• InChiKey: IQXVLEUYHAOSGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.52
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-trimethylsilyl-5-methyl-1,3,5-dithiazine 在 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 以98%的产率得到
  参考文献：
  名称：

  Structural analyses of 2-triorganylsilyl- and 2-triorganylstannyl derivatives of 5-alkyl-[1,3,5]-dithiazinanes. Do S⋯Si and S⋯Sn interactions exist?

  摘要：

  A series of 2 - R-3'E (E = Si or Sn; R' = Me or Ph) derivatives of 5-R-[1,3,5]-dithiazinanes (R = Me, iPr, tBu) are reported, as well as some of their N-BH3 adducts. Structures were determined by Si-29, Sn-119, B-11, C-13 and H-1 NMR and X ray diffraction analyses. Minimum energy conformations were calculated by HF/631++G(d,p) and B3LYP/6-31++G(d,p) methods. Preferred conformations and steric and stereo-electronic interactions are analyzed. In the solid state the ring conformation is a chair with the N-R group in axial and the 2-substituents in equatorial position. The Si or Sn atoms linked to C-2 have short distances to the two sulfur atoms, interpreted as Si center dot center dot center dot S and Sn center dot center dot center dot S stabilizing contacts. The Sn-119 NMR chemical shifts and (1)J(C-13, Sn-119) coupling constants evidenced weak S center dot center dot center dot Sn coordination bonds. Substitution reactions at C2 performed in N-BH3 adducts of 2-lithium-5-methyl-[1,3,5]-dithiazinanes of anchored conformation proceed with retention of C2 configuration. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.07.058
• 作为产物：
  描述：

  二氢-5-甲基-4H-1,3,5-二噻嗪 在 正丁基锂 、 三甲基氯硅烷 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 2-trimethylsilyl-5-methyl-1,3,5-dithiazine
  参考文献：
  名称：

  Ketendithioacetal derivatives and pharmaceutical compositions containing

  摘要：

  式(I)的酮二硫代缩醛衍生物具有强效的降血脂和抗动脉硬化作用，可用于预防和治疗动脉硬化或高血脂症。

  公开号：

  US05098928A1

文献信息

• Structural analyses of 2-triorganylsilyl- and 2-triorganylstannyl derivatives of 5-alkyl-[1,3,5]-dithiazinanes. Do S⋯Si and S⋯Sn interactions exist?
  作者：Raúl Colorado-Peralta、Carlos Guadarrama-Pérez、Luis A. Martínez-Chavando、Juan Carlos Gálvez-Ruiz、Angélica M. Duarte-Hernández、Galdina V. Suárez-Moreno、Aurora Vásquez-Badillo、Sonia A. Sánchez-Ruiz、Rosalinda Contreras、Angelina Flores-Parra

  DOI：10.1016/j.jorganchem.2013.07.058

  日期：2014.2

  A series of 2 - R-3'E (E = Si or Sn; R' = Me or Ph) derivatives of 5-R-[1,3,5]-dithiazinanes (R = Me, iPr, tBu) are reported, as well as some of their N-BH3 adducts. Structures were determined by Si-29, Sn-119, B-11, C-13 and H-1 NMR and X ray diffraction analyses. Minimum energy conformations were calculated by HF/631++G(d,p) and B3LYP/6-31++G(d,p) methods. Preferred conformations and steric and stereo-electronic interactions are analyzed. In the solid state the ring conformation is a chair with the N-R group in axial and the 2-substituents in equatorial position. The Si or Sn atoms linked to C-2 have short distances to the two sulfur atoms, interpreted as Si center dot center dot center dot S and Sn center dot center dot center dot S stabilizing contacts. The Sn-119 NMR chemical shifts and (1)J(C-13, Sn-119) coupling constants evidenced weak S center dot center dot center dot Sn coordination bonds. Substitution reactions at C2 performed in N-BH3 adducts of 2-lithium-5-methyl-[1,3,5]-dithiazinanes of anchored conformation proceed with retention of C2 configuration. (c) 2013 Elsevier B.V. All rights reserved.
• Ketendithioacetal derivatives and pharmaceutical compositions containing
  申请人：Nihon Nohyaku Co., Ltd.

  公开号：US05098928A1

  公开（公告）日：1992-03-24

  The ketenedithioacetal derivatives of formula (I) have a potent hypolipidemic and anti-arteriosclerotic effect and are useful for prophylaxis and treatment of arteriosclerosis or hyperlipidemia.

  式(I)的酮二硫代缩醛衍生物具有强效的降血脂和抗动脉硬化作用，可用于预防和治疗动脉硬化或高血脂症。