[Ti(=NBu-t)Cl2(1,4-dimethyl-1,4-diaza-7-oxacyclononane)] | 562809-60-3

• 英文名称: [Ti(=NBu-t)Cl2(1,4-dimethyl-1,4-diaza-7-oxacyclononane)]
• CAS: 562809-60-3
• 化学式: C₁₂H₂₇Cl₂N₃OTi
• 分子量: 348.152
• InChiKey: ZJFTUTOAZSKQKF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  [Ti(N^tBu)Cl₂(Py)₂] 、 4,7-dimethyl-4,7-diaza-1-oxacyclononane 以 二氯甲烷 为溶剂， 以80%的产率得到[Ti(=NBu-t)Cl2(1,4-dimethyl-1,4-diaza-7-oxacyclononane)]
  参考文献：
  名称：

  Synthesis and structures of titanium imido complexes of sulfur- and mixed nitrogen–sulfur- and nitrogen–oxygen-donor macrocycles

  摘要：

  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.

  DOI：

  10.1016/s0020-1693(02)01294-x