2,2-dihydroxy-6-methyl-1,3,6,2-dioxazagermocane | 148661-29-4

• 英文名称: 2,2-dihydroxy-6-methyl-1,3,6,2-dioxazagermocane
• CAS: 148661-29-4
• 化学式: C₅H₁₃GeNO₄
• 分子量: 223.753
• InChiKey: WNLPQTMHXZOYSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  2,2-dihydroxy-6-methyl-1,3,6,2-dioxazagermocane 以 乙醇 、 xylene 为溶剂， 以95%的产率得到tris(N-methyliminodiethanolato-N,O,O')cyclotrigermoxane
  参考文献：
  名称：

  二乙醇胺到二氧化锗的化学特异环加成

  摘要：

  摘要描述了各种二乙醇胺与二氧化锗的特定环加成反应。N-烷基和N = H二乙醇胺分别生成三聚环三锗烷1和单体螺-锗烷。观察到1、2和它们的前体是双羟基二羟锗烷3之间的平衡。可以通过使用α-羟基二苯乙酸捕获络合物3，以高收率获得稳定的螺锗烷（α-羟基二苯基乙酰-O，O'）（亚氨基二乙醇基-N，O，O'）锗（IV）（4）。这些配合物已通过元素分析，IR，1 H和13 C NMR和质谱进行了表征。

  DOI：

  10.1016/0277-5387(94)00287-o
• 作为产物：
  描述：

  4,12-dimethyl-1,7,9,15-tetraoxa-4,12-diaza-8-germaspiro[7.7]pentadecane 、 水 以 甲苯 为溶剂， 以89%的产率得到2,2-dihydroxy-6-methyl-1,3,6,2-dioxazagermocane
  参考文献：
  名称：

  Synthesis, structure, and reactivity of germanium-containing derivatives of substituted diethanolamines

  摘要：

  The reaction of dialkanolamines RN(CH2CH2O)(CHR'CHR'OH) (R = Me, Ph, PhCH2; R' = H, Ph) with tetraethoxygermane gives either 2,2-diethoxy-1,3,6,2-dioxazagermocanes RN(CH2CH2O)(CHR'CHR'O) Ge(OEt)(2) or 1,7,9,15-tetraoxa-4,12-diaza-8-germaspiro[7.7] pentadecanes [RN(CH2CH2O) (CHR'CHR'O)](2)Ge depending on the reactant ratio. The chemical behavior of the obtained compounds in substitution reactions at germanium was studied. The product structure was confirmed by elemental analysis data and H-1, C-13, and F-19 NMR spectroscopy. The cyclotrigermanoxane [MeN(CH2CH2O)(2)GeO](3) was studied by X-ray diffraction.

  DOI：

  10.1134/s0036023609020077

文献信息

• Germatranes and their quasi and hypo analogs with highly electronegative substituent at the Ge atom
  作者：M. G. Voronkov、A. A. Korlyukov、G. S. Samokhin、D. V. Vrazhnov、T. A. Kochina

  DOI：10.1007/s11172-012-0128-0

  日期：2012.5

  Synthesis of germatranes XGe(OCH2CH2)3N (1), quasigermatranes X2Ge(OCH2CH2)2NR (R = H, Me) (2), and hypogermatranes X3Ge(OCH2CH2)NH2 (3) containing highly electronegative substituents at the Ge atom was described. An exchange reaction of the corresponding hydroxygermatranes with ammonium salts was used for their preparation. The synthesized compounds 1–3 were studied by IR spectroscopy.

  描述了含有高电负性取代基的 Ge 原子的 germatranes XGe(OCH2CH2)3N (1)、准 germatranes X2Ge(OCH2CH2)2NR (R = H, Me) (2) 和 hypogermatranes X3Ge(OCH2CH2)NH2 (3) 的合成。采用相应的羟基 germatranes 与铵盐的交换反应来制备它们。合成的化合物 1–3 通过红外光谱进行了研究。
• Chen, Deng-Hei; Chiang, Hung-Cheh, Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1993, vol. 23, p. 383 - 400
  作者：Chen, Deng-Hei、Chiang, Hung-Cheh

  DOI：——

  日期：——
• Lermontova, Elmira Kh.; Selina, Anastasia A.; Karlov, Sergey S., Journal of Organometallic Chemistry, 2006, vol. 691, p. 5710 - 5724
  作者：Lermontova, Elmira Kh.、Selina, Anastasia A.、Karlov, Sergey S.、Churakov, Andrei V.、Howard, Judith A. K.、et al.

  DOI：——

  日期：——
• Synthesis, X-ray Diffraction Studies, and DFT Calculations on Hexacoordinated Germanium Derivatives:  The Case of Germaspirobis(ocanes)
  作者：Sergey S. Karlov、Elmira Kh. Lermontova、Maxim V. Zabalov、Anastasia A. Selina、Andrei V. Churakov、Judith A. K. Howard、Mikhail Yu. Antipin、Galina S. Zaitseva

  DOI：10.1021/ic048165m

  日期：2005.6.1

  Synthesis of the title compounds, viz. [RN(CH2CHR'O)(2)](2)Ge (1, R = Me, R' = H; 2, R = Me, R' = Ph; 3, R = Ph, R' H), by the reaction of 2 equiv of corresponding dialkanolamines RN(CH2CHR'OH)(2) (4, R = Me, R' = H; 5, R Me, R' = Ph; 6, R = Ph, R' = H) with (AIkO)(4)Ge is reported. Composition and structures of all novel compounds were established by H-1 and C-13 NMR spectroscopy and mass spectrometry as well as elemental analysis data. The single-crystal X-ray diffraction of 2 has clearly indicated the presence of two transannular interactions Ge <- N in the compound. N atoms are cis-orientated. The compound 3 possesses long Ge center dot center dot center dot N distances. The structural data obtained from geometry optimizations by DFT calculations on 1-3 reproduces experimental results. Both cis- and trans-isomers were studied, and cis-configuration was found to be more thermodynamically stable for all three compounds. The transition states for possible cis <-> trans rearrangement processes in 1-3 were calculated. The properties of the Ge-O and Ge-N bonds in 1-3 were analyzed by the AIM approach. The interactions between the Ge atom and N atoms as well as 0 atoms possess predominantly ionic character.
• Synthesis and structure of dithiagermocane containing a spiro eight-membered ring
  作者：Deng-Hai Chen、Hung-Cheh Chiang、Chuen-Her Ueng

  DOI：10.1016/s0020-1693(00)82890-x

  日期：1993.6

  The title compounds were synthesized from [Ge(OH)2-RN(CH2CH2O)2}] (R=H or CH3) and the corresponding ligands in refluxed methanol. Both compounds have distorted tetrahedral geometry around the coordinated sphere. Distortion may be attributed to the formation of the two eight-membered chelating rings and to the interaction between Ge and the free oxygens or sulfurs of the ligands.