三甲氧基环丙基硅烷 | 54690-69-6

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 中文名称: 三甲氧基环丙基硅烷
• 英文名称: trimethoxycyclopropylsilane
• 英文别名: Cyclopropyltrimethoxysilane；cyclopropyl(trimethoxy)silane
• CAS: 54690-69-6
• 化学式: C₆H₁₄O₃Si
• 分子量: 162.261
• InChiKey: FWCBQAXNMWDAFK-UHFFFAOYSA-N

物化性质

• 沸点：
  145.0±7.0 °C(Predicted)
• 密度：
  0.98±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.03
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  三甲氧基环丙基硅烷 在 氯化锑(V) 、 三氟化锑 作用下， 生成 Cyclopropyl-trifluor-silan
  参考文献：
  名称：

  Mironov,V.F. et al., Journal of general chemistry of the USSR, 1975, vol. 45, p. 1762 - 1767

  摘要：

  DOI：
• 作为产物：
  描述：

  乙烯基三甲氧基硅烷 、 二碘甲烷 在 Zn-Cu 作用下， 以 正己烷 为溶剂， 生成 三甲氧基环丙基硅烷
  参考文献：
  名称：

  Microwave, r0 structural parameters, conformational stability and vibrational assignment of cyclopropylcyanosilane

  摘要：

  The FT-microwave spectrum (6000-19,800 MHz) of cyclopropylcyanosilane, c-C3H5SiH2CN has been recorded and 773 transitions for the Si-28, Si-29, Si-30, C-13 and N-15 isotopomers have been assigned for cis and gauche conformers. Infrared spectra (3200-220 cm (1)) of gas and Raman spectra (3200-40 cm (1)) of the liquid have been recorded as well as the variable temperature (-60 to -100 degrees C) studies of the infrared spectra of the sample dissolved in liquid xenon. The enthalpy difference between the conformers in xenon solutions has been determined to be 123 +/- 13 cm (1) (1.47 +/- 0.16 kJ mol (1)) with the cis conformer as the more stable form. Approximately 48 +/- 2% of the cis form is present at ambient temperature. By utilizing the microwave rotational constants of six isotopomers for cis and seven isotopomers for gauche combined with the structural parameters predicted from MP2(full)/6-311+G(d, p) calculations, adjusted r(0) parameters have been obtained for both conformers. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.chemphys.2014.10.004

文献信息

• Synthesis of cyclopropylsilatranes
  作者：K. V. Pavlov、N. A. Viktorov、V. F. Mironov

  DOI：10.1007/bf00704012

  日期：1993.4

  Cyclopropylsilatranes were prepared by interaction of cyclopropyltrimethoxysilanes with triethanolamine.
• Infrared and Raman Spectra, Conformational Stability, <i>ab</i> <i>Initio</i> Calculations, and Vibrational Assignments for Cyclopropylchlorosilane
  作者：T. K. Gounev、Jeffery W. Weston、Shiyu Shen、M. Dakkouri、A. Grunvogel-Hurst、J. R. Durig

  DOI：10.1021/jp971894l

  日期：1997.11.1

  The infrared (3300-30 cm(-1)) spectra of gaseous and solid cyclopropylchlorosilane, c-C3H5SiH2Cl, have bees recorded. Additionally, the Raman spectra (3200-30 cm(-1)) of the liquid and solid have been recorded and quantitative depolarization values obtained. Both the cis-and gauche conformers have been identified in the fluid phases but only the gauche conformer remains in the solid. Variable-temperature (-55 to -100 degrees C) studies of the infrared spectra of the sample dissolved in liquid xenon have been carried out. From these data, the enthalpy difference has been determined to be 98 +/- 10 cm(-1) (280 +/- 29 cal mol(-1)), but with the cis conformer being the more stable form which is consistent with the predictions from ab initio calculations at the highest level of calculation, MP2/6-311++G**. A complete vibrational assignment is proposed for both the cis and gauche conformers based on infrared band contours, relative intensities, depolarization values, and group frequencies. The vibrational assignments are supported by normal-coordinate calculations utilizing the force constants from ab initio MP2/6-31G* calculations. Complete equilibrium geometries have been determined for both rotamers by ab initio calculations employing a variety of basis sets up to 6-311++G** at levels of restricted Hartree-Fock (RHF) and/or Moller-Plesset (MP) to second order. The potential energy terms for the conformer interconversion have been obtained from the MP2/6-31G* calculation. The results are discussed and compared to those obtained for some similar molecules.
• Crystal and molecular structure of 1-(cyclopropyl)silatrane
  作者：S. N. Gurkova、A. I. Gusev、N. V. Alekseev、M. A. Ignatenko

  DOI：10.1007/bf00748006

  日期：——
• Pawlow K. W., Wiktorow N. A., Mironow W. F., Isw. RAN. Ser. khim., (1993) N 4, S 756-757
  作者：Pawlow K. W., Wiktorow N. A., Mironow W. F.

  DOI：——

  日期：——
• Mironov,V.F. et al., Journal of general chemistry of the USSR, 1975, vol. 45, p. 1762 - 1767
  作者：Mironov,V.F. et al.

  DOI：——

  日期：——