(2,4,6-Me3C6H2)N(SiMe3)(Si(OH)3)

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2,4,6-Me3C6H2)N(SiMe3)(Si(OH)3)
• 英文别名: 2,4,6-trimethyl-N-trihydroxysilyl-N-trimethylsilylaniline
• 化学式: C₁₂H₂₃NO₃Si₂
• 分子量: 285.491
• InChiKey: JEBMXIDHKKCSFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.9
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2,4,6-Me3C6H2)N(SiMe3)(Si(OH)3) 以 正己烷 、 二氯甲烷 为溶剂， 反应 672.0h， 以30%的产率得到N-[[(2-amino-3,5-dimethylphenyl)methyl-dimethylsilyl]oxy-dihydroxysilyl]-2,4,6-trimethyl-N-trimethylsilylaniline
  参考文献：
  名称：

  衍生自硅烷三醇的硅烷二醇。（2,4,6-Me 3 C 6 H 2）N（SiMe 3）Si（OSiMe 3）（OH）2和（2,4,6-Me 3 C 6 H 2）N的X射线晶体结构（SiMe 3）Si（OSiMe 2 R）（OH）2 [R = CH 2（2-NH 2 -3,5-Me 2 C 6 H 2）]

  摘要：

  所述silanediols RN（森达3）的Si（OSiMe 3）（OH）2（R = 2,4,6-ME 3 c ^ 6 ħ 2 4，2,6-ME 2 ç 6 ħ 3 5，和2,6-我镨2 ç 6 ħ 3 6）由相应的硅烷三醇RN（森的反应制备3）-Si（OH）3 1 - 3与森达3氯在THF /己烷中。CH 2 Cl 2中的硅烷三醇1己烷溶液在4周内转化为硅烷二醇（2,4,6-Me 3 C 6 H 2）N（SiMe 3）Si（OSiMe 2 R）-（OH）2 [R = CH 2（2 -NH 2 -3,5-Me 2 C 6 H 2）]（7）。化合物4-7通过质谱，IR和NMR（1 H和29 Si）光谱进行了表征。另外，通过单晶X射线衍射研究确定了4和7的分子结构。化合物4形成固态的OH…O氢键四聚体。在7的固态结构中发现了一个由分子间OH…N氢键形成的九元环。

  DOI：

  10.1002/cber.19961290405

文献信息

• Synthesis and Structure of Gallium Siloxane Cages: Model Substances for Gallium-Containing Silicates
  作者：Andreas Voigt、Ramaswamy Murugavel、Emilio Parisini、Herbert W. Roesky

  DOI：10.1002/anie.199607481

  日期：1996.4.19
• Facile and Rational Route for High-Yield Synthesis of Titanasiloxanes from Aminosilanetriols
  作者：Andreas Voigt、Ramaswamy Murugavel、Vadapalli Chandrasekhar、Norbert Winkhofer、Herbert W. Roesky、Hans-Georg Schmidt、Isabel Usón

  DOI：10.1021/om950816m

  日期：1996.3.19

  Reactions of aminosilanetriols RN(SiMe(3))(Si(OH)(3)) (R = 2,6-Me(2)C(6)H(3) (1a), 2,6-i-Pr2C6H3 (1b), 2,4,6-Me(3)C(6)H(2) (1c)) with titanium orthoesters Ti(OR')(4) (R' = Et, i-Pr) in hexane at room temperature afford new cubic titanasiloxanes [RN(SiMe(3))SiO3Ti(OR')](4) (2a-f) in nearly quantitative yield. These compounds have been characterized by mass, IR, and multinuclear NMR spectroscopy. The X-ray crystal structure of [(2,6-i-Pr2C6H3)N(SiMe(3))SiO3Ti(OEt)](4) (2c) is described. The molecular structure of 2c reveals a Si4Ti4O12 cubic core. The six Si-O-Ti puckered eight-membered rings in the cubic framework adopt a crown conformation with the two Si and two Ti atoms describing a plane and the four oxygen atoms in an almost parallel plane.
• Cyclic and Polyhedral Aluminosiloxanes with Al₂Si₂O₄, Al₄Si₂O₆, and Al₄Si₄O₁₂ Frameworks:  X-ray Crystal Structures of [(2,4,6-Me₃C₆H₂)N(SiMe₃)Si(OAlBu-<i>i</i>)(OAl(Bu-<i>i</i>)₂)O]₂ and [(2,6-Me₂C₆H₃)N(SiMe₃)SiO₃Al·C₄H₈O₂]₄
  作者：Vadapalli Chandrasekhar、Ramaswamy Murugavel、Andreas Voigt、Herbert W. Roesky、Hans-Georg Schmidt、Mathias Noltemeyer

  DOI：10.1021/om950685p

  日期：1996.2.6

  Reactions of (silylamino)silanetriols RN(SiMe(3))Si(OH)(3) (R = 2,4,6-Me(3)C(6)H(2) (1) and 2,6-Me(2)C(6)H(3) (2)) with i-Bu(2)AlH in 1:1 molar ratio at -78 degrees C afford aluminosiloxanes [RN(SiMe(3))Si(OH)O(OAlBu-i . dioxane)](2) (R = 2,4,6-Me(3)C(6)H(2) (3) and 2,6-Me(2)C(6)H(3) (4)) and [RN(SiMe(3))Si(OAlBu-i)(OAl(Bu-i)(2))O](2) (R = 2,4,6-Me(3)C(6)H(2) (5) and 2,6-Me(2)C(6)H(3) (6)), respectively. While 3 and 4 are eight-membered Al2Si2O4 cyclic compounds, 5 and 6 are drum-shaped aluminosiloxanes with an Al4Si2O6 core. When the same reactions were carried out in 1:2 molar ratio of the reactants at -78 degrees C, only the drum-shaped polyhedral compounds 5 and 6 are isolated. The reactions between the silanetriols and i-Bu(2)AlH in 1:1 molar ratio at 65 degrees C proceed quantitatively to yield the cubic aluminosiloxanes [RN(SiMe(3))SiO3Al . dioxane](4) (R = 2,4,6-Me(3)C(6)H(2) (7) and 2,6-Me(2)C(6)H(3) (8)) with an Al4Si4O12 framework. The X-ray crystal structures of 5 and 8 have been determined.
• Silanediols Derived from Silanetriols. X‐ray Crystal Structures of (2,4,6‐Me ₃ C ₆ H ₂ )N(SiMe ₃ )Si(OSiMe ₃ )(OH) ₂ and (2,4,6‐Me ₃ C ₆ H ₂ )N(SiMe ₃ )Si(OSiMe ₂ R)(OH) ₂ [R = CH ₂ (2‐NH ₂ ‐3,5‐Me ₂ C ₆ H ₂ )]
  作者：Ramaswamy Murugavel、Andreas Voigt、Vadapalli Chandrasekhar、Herbert W. Roesky、Hans‐Georg Schmidt、Mathias Noltemeyer

  DOI：10.1002/cber.19961290405

  日期：1996.4

  The silanediols RN(SiMe3)Si(OSiMe3)(OH)2 (R = 2,4,6-Me3C6H24, 2,6-Me2C6H35, and 2,6-iPr2C6H36) were prepared by the reactions of the respective silanetriols RN(SiMe3)-Si(OH)31 – 3 with SiMe3Cl in THF/hexane. Silanetriol 1 in CH2Cl2/hexane solution converts over a period of 4 weeks into the silanediol (2,4,6-Me3C6H2)N(SiMe3)Si(OSiMe2 R)-(OH)2 [R = CH2(2-NH2-3,5-Me2C6H2)] (7). Compounds 4 – 7 were characterized

  所述silanediols RN（森达3）的Si（OSiMe 3）（OH）2（R = 2,4,6-ME 3 c ^ 6 ħ 2 4，2,6-ME 2 ç 6 ħ 3 5，和2,6-我镨2 ç 6 ħ 3 6）由相应的硅烷三醇RN（森的反应制备3）-Si（OH）3 1 - 3与森达3氯在THF /己烷中。CH 2 Cl 2中的硅烷三醇1己烷溶液在4周内转化为硅烷二醇（2,4,6-Me 3 C 6 H 2）N（SiMe 3）Si（OSiMe 2 R）-（OH）2 [R = CH 2（2 -NH 2 -3,5-Me 2 C 6 H 2）]（7）。化合物4-7通过质谱，IR和NMR（1 H和29 Si）光谱进行了表征。另外，通过单晶X射线衍射研究确定了4和7的分子结构。化合物4形成固态的OH…O氢键四聚体。在7的固态结构中发现了一个由分子间OH…N氢键形成的九元环。