5,14-dihydro-6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato germanium bis(thiocyanate) | 450341-38-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5,14-dihydro-6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato germanium bis(thiocyanate)
• CAS: 450341-38-5
• 化学式: C₂₄H₂₂GeN₆S₂
• 分子量: 531.201
• InChiKey: TXSMQAOGAPJEFH-UHFFFAOYSA-N

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：

  硫氰酸铵 、 5,14-dihydro-6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato germanium dichloride 以 甲醇 为溶剂， 以68%的产率得到5,14-dihydro-6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato germanium bis(thiocyanate)
  参考文献：
  名称：

  Syntheses and characterization of di- and mono-thiocyanato germanium (IV) complexes with 5,14-dihydro-6,8,15,17-tetra-methyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecine

  摘要：

  By controlling the molar ratio of Ge(tmtaa)Cl-2 and NH4SCN at 1:2 and 1:1 in CH3OH (H(2)tmtaa = 5,14-dihydro-6,8,15,17-tetramethyldibenzo[b,i] [1,4,8,11]tetraazacyclotetradecine), two kinds of germanium(IV) complexes, Ge(tmtaa)(NCS)(2) (1) and Ge(tmtaa)(Cl)(NCS) (2), were prepared and characterized by IR, UV, mass and NMR spectra as well as DSC measurements. In the IR spectrum of 1, two C=N stretching bands of NCS groups were observed at 2073 and 2043 cm(-1), while in the IR spectrum of 2, only one C=N stretching band of a NCS group appeared at 2110 cm(-1). The crystal structure of a trans six-coordinate tmtaa complex of germanium in the +IV oxidation state is reported. X-ray single crystal analysis of 1 reveals that it adopts a six-coordinate geometry in which two NCS groups are in trans positions, The bond lengths of Ge-N between the central germanium and NCS groups are 1.996(6) and 2.031(6) Angstrom. They are longer than those between the central metal and nitrogen atoms of tmtaa (1.926 Angstrom). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)00917-8