N,N'-dimethyl-1-thia-4,7-diazacyclononane | 188016-50-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-dimethyl-1-thia-4,7-diazacyclononane
• 英文别名: 1,4-dimethyl-1,4-diaza-7-thiacyclononane；4,7-Dimethyl-1,4,7-thiadiazonane
• CAS: 188016-50-4
• 化学式: C₈H₁₈N₂S
• 分子量: 174.31
• InChiKey: SLDOCXXPCHASOS-UHFFFAOYSA-N

物化性质

• 沸点：
  247.6±30.0 °C(Predicted)
• 密度：
  0.961±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  31.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  iron(III) chloride hexahydrate 、 N,N'-dimethyl-1-thia-4,7-diazacyclononane 以 甲醇 为溶剂， 以90%的产率得到4,7-dimethyl-1,4,7-thiadiazonane;trichloroiron
  参考文献：
  名称：

  Grillo, Vincent A.; Hanson, Graeme R.; Hambley, Trevor W., Journal of the Chemical Society, Dalton Transactions

  摘要：

  DOI：

文献信息

• Syntheses and structures of a new class of aza- and thio-ether macrocyclic d0 imido complexes
  作者：Paul J. Wilson、Alexander J. Blake、Martin Schröder

  DOI：10.1039/a801753k

  日期：——

  The synthesis and structures of a family of macrocyclic, d0 titanium imido complexes [Ti(NBut)(L)Cl2] (L = [9]aneN3, Me3[9]aneN3, [9]aneS3 or Me2[9]aneN2S) are reported; the new compounds are isolobal analogues of group 4 metallocene dichlorides.

  一族大环 d0 钛亚氨基配合物 [Ti(NBut)(L)Cl2]（L = [9]aneN3、Me3[9]aneN3、[9]aneS3 或 Me2[9]aneN2S）的合成和结构为报告；这些新化合物是第 4 族茂金属二氯化物的异构类似物。
• Synthesis and structures of titanium imido complexes of sulfur- and mixed nitrogen–sulfur- and nitrogen–oxygen-donor macrocycles
  作者：Paul J Wilson、Alexander J Blake、Philip Mountford、Martin Schröder

  DOI：10.1016/s0020-1693(02)01294-x

  日期：2003.3

  The first Group 4 complexes of 1,4,7-trithiacyclononane ([9]aneS(3)) and the mixed N/S- and N/O-donor macrocycles Me-2[9]aneN(2)E (E = S or O) are described. Thus, reaction of the tert-butylimido complex [Ti((NBU)-B-t)Cl-2(PY)(2)] with [9]aneS3 gives an equilibrium mixture of starting materials and the complex [Ti((NBu)-Bu-t)Cl-2([9]aneS(3))] (1) which can be isolated in modest yields. [Ti((NBU)-B-t)Cl-2(PY)(3)] reacts readily with the mixed N/S- or N/O-donor macrocycles Me-2[9]aneN(2)E to give the corresponding [Ti((NBu)-Bu-t)Cl-2(Me-2[9]aneN(2)E)] [E = S (2) or 0 (3)]. The compound 2 exists in solution and solid state as the C-1-symmetrical isomer in which the macrocycle sulfur atom lies cis to the NtBu ligand. In contrast, compound 3 exists as the C-s-symmetrical isomer with the macrocyclic oxygen donor positioned trans to the (NBu)-Bu-t ligand. The X-ray crystal structures of the compounds 1 . CH2Cl2, 2 . CH2Cl2, and 3 are reported. (C) 2002 Elsevier Science B.V. All rights reserved.