三(1-萘基)硅烷醇 | 18919-22-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 三(1-萘基)硅烷醇
• 英文名称: tri(1-naphthyl)silanol
• 英文别名: tris(1-napthyl)silicon(IV) hydroxide；(1-na)3SiOH；tris(1-naphthyl)silanol；hydroxy(trinaphthalen-1-yl)silane
• CAS: 18919-22-7
• 化学式: C₃₀H₂₂OSi
• 分子量: 426.59
• InChiKey: QXDUDXNCRSLEML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.11
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  三(1-萘基)硅烷醇 、 间二甲苯 以 氯仿 为溶剂， 生成 Tri-naphthalen-1-yl-silanol; compound with m-xylene
  参考文献：
  名称：

  Complexation with hydroxy host compounds. 3. Structures and thermal analysis of the inclusion compounds of tri-1-naphthylsilanol with toluene, o-xylene, m-xylene, and p-xylene

  摘要：

  Crystal structures of tri(1-naphthyl)silanol with toluene (1:1) (1), o-xylene (1:1) (2), m-xylene (1:1) (3) and p-xylene (1:2) (4) have been determined and compared. Crystal data are as follows. 1: P1BAR, a = 9.465 (3) angstrom, b = 12.424 (2) angstrom, c = 13.344 (4) angstrom, alpha = 116.08 (2)-degrees, beta = 91.67 (2)-degrees, gamma = 92.27 (2)-degrees; Z = 2. 2:P1BAR, a = 9.399 (5) angstrom, b = 12.475 (6) angstrom, c = 13.577 (5) angstrom, alpha = 115.96 (4)-degrees, beta = 90.37 (4)-degrees, gamma = 92.77 (2)-degrees; Z = 2. 3: P1BAR, a = 11.974 (3) angstrom, b = 12.243 (2) angstrom, c = 12.317 (2) angstrom, alpha = 65.16 (1)-degrees, beta = 72.50 (2)-degrees, gamma = 61.85 (2)-degrees, Z = 2. 4: P1BAR, a = 9.315 (6) angstrom, b = 12.462 (1) angstrom, c = 15.901 (4) angstrom, alpha = 82.51 (2)-degrees, beta = 82.08 (4)-degrees, gamma = 87.25 (5)-degrees, Z = 2. Possible hydrogen bonding between the hydroxyl group of the host and the aromatic pi-electrons of the guests was observed and confirmed by shifts in the infrared spectra of the compounds. Thermal analysis revealed the strength of binding of the guest species. The intermolecular nonbonded potential energies were calculated and a correlation observed between these and the enthalpy change of guest release for 2 and 3. Thermogravimetry was used to evaluate the activation energy of the guest release reaction in 1-4.

  DOI：

  10.1021/jo00034a044
• 作为产物：
  描述：

  (1-na)3Si(Oet) 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 生成 三(1-萘基)硅烷醇
  参考文献：
  名称：

  Some 1-Naphthylsilicon Compounds

  摘要：

  DOI：

  10.1021/ja01154a043
• 作为试剂：
  描述：

  香茅醛 在 三(1-萘基)硅烷醇 、 三乙基铝 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 4.5h， 生成 异胡薄荷醇
  参考文献：
  名称：

  WO2007/39342

  摘要：

  公开号：

文献信息

• X-ray structures and photophysical properties of Tris(1-naphthyl)silicon(IV) derivatives
  作者：Kisturi Dhanwant、Tristram Chivers、M. Bhanuchandra、Ramalingam Thirumoorthi

  DOI：10.1016/j.molstruc.2020.128650

  日期：2020.11

  Abstract Silyl-substituted naphthalene derivatives, tris(1-napthyl)silicon (IV) chloride (1), tris(1-napthyl)silicon (IV) hydroxide (2) and tris(1-napthyl)silicon (IV)-n-butoxide (3) have been structurally characterized by single-crystal X-ray diffraction. The close intermolecular proximity of the naphthyl substituents groups in 1–3 results in a variety of C–H---π intermolecular interactions to form

  摘要 甲硅烷基取代的萘衍生物、三(1-萘基)硅(IV)氯化物(1)、三(1-萘基)硅(IV)氢氧化物(2)和三(1-萘基)硅(IV)-n-丁醇盐 (3) 已通过单晶 X 射线衍射进行结构表征。1-3 中萘基取代基的分子间接近导致各种 C-H---π 分子间相互作用形成二维组装。1-3 的 UV-vis 光谱显示红移（红色），并且相对于未取代的萘，消光系数增加。量子产率计算表明，相对于 1-三甲基甲硅烷基萘，1-3 的荧光发射效率显着降低。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Si: MVol.C, 89, page 242 - 246
  作者：

  DOI：——

  日期：——
• Schostakowskii; Kondrat'ew, Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1957, p. 319,323; engl.Ausg.S.333,337
  作者：Schostakowskii、Kondrat'ew

  DOI：——

  日期：——
• Some 1-Naphthylsilicon Compounds
  作者：Henry Gilman、Cecil G. Brannen

  DOI：10.1021/ja01154a043

  日期：1951.10
• Complexation with hydroxy host compounds. 3. Structures and thermal analysis of the inclusion compounds of tri-1-naphthylsilanol with toluene, o-xylene, m-xylene, and p-xylene
  作者：Susan A. Bourne、Luigi R. Nassimbeni、Edwin Weber、Konstantinos Skobridis

  DOI：10.1021/jo00034a044

  日期：1992.4

  Crystal structures of tri(1-naphthyl)silanol with toluene (1:1) (1), o-xylene (1:1) (2), m-xylene (1:1) (3) and p-xylene (1:2) (4) have been determined and compared. Crystal data are as follows. 1: P1BAR, a = 9.465 (3) angstrom, b = 12.424 (2) angstrom, c = 13.344 (4) angstrom, alpha = 116.08 (2)-degrees, beta = 91.67 (2)-degrees, gamma = 92.27 (2)-degrees; Z = 2. 2:P1BAR, a = 9.399 (5) angstrom, b = 12.475 (6) angstrom, c = 13.577 (5) angstrom, alpha = 115.96 (4)-degrees, beta = 90.37 (4)-degrees, gamma = 92.77 (2)-degrees; Z = 2. 3: P1BAR, a = 11.974 (3) angstrom, b = 12.243 (2) angstrom, c = 12.317 (2) angstrom, alpha = 65.16 (1)-degrees, beta = 72.50 (2)-degrees, gamma = 61.85 (2)-degrees, Z = 2. 4: P1BAR, a = 9.315 (6) angstrom, b = 12.462 (1) angstrom, c = 15.901 (4) angstrom, alpha = 82.51 (2)-degrees, beta = 82.08 (4)-degrees, gamma = 87.25 (5)-degrees, Z = 2. Possible hydrogen bonding between the hydroxyl group of the host and the aromatic pi-electrons of the guests was observed and confirmed by shifts in the infrared spectra of the compounds. Thermal analysis revealed the strength of binding of the guest species. The intermolecular nonbonded potential energies were calculated and a correlation observed between these and the enthalpy change of guest release for 2 and 3. Thermogravimetry was used to evaluate the activation energy of the guest release reaction in 1-4.