(氯甲基)(二甲基){3-[(三甲基甲硅烷基)氧代]丙基}硅烷 | 17891-49-5

• 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: (氯甲基)(二甲基){3-[(三甲基甲硅烷基)氧代]丙基}硅烷
• 英文名称: dimethyl(chloromethyl)(3-trimethylsiloxypropyl)silane
• 英文别名: (γ-Trimethylsiloxypropyl)-chlormethyl-dimethyl-silan；(Chloromethyl)(dimethyl){3-[(trimethylsilyl)oxy]propyl}silane；chloromethyl-dimethyl-(3-trimethylsilyloxypropyl)silane
• CAS: 17891-49-5
• 化学式: C₉H₂₃ClOSi₂
• 分子量: 238.905
• InChiKey: XWHILIPGGPXQNV-UHFFFAOYSA-N

物化性质

• 沸点：
  211.9±15.0 °C(Predicted)
• 密度：
  0.897±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.71
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (氯甲基)(二甲基){3-[(三甲基甲硅烷基)氧代]丙基}硅烷 在 盐酸 、 水 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以2 g的产率得到3-[(氯甲基)二甲基硅基]-1-丙醇
  参考文献：
  名称：

  Synthesis and conformational analysis of 1,3-azasilinanes

  摘要：

  1-Isopropyl-3-methyl-3-phenyl-1,3-azasilinane 1 and 1-isopropyl-3,3-dimethyl-1,3-azasilinane 2 were synthesized and a detailed analysis of their NMR spectra, conformational equilibria and ring inversion processes is presented. Low temperature H-1/C-13 NMR spectroscopy, iteration of the H-1 NMR spectra and quantum chemical calculations showed slight predominance of the PheqMeax over the PhaxMeeq conformer of 1 at low temperature. The barrier for the chair to chair interconversion of both compounds was measured to be 8.25 kcal/mol. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.106
• 作为产物：
  描述：

  氯甲基(二甲基)硅烷 、 烯丙氧基三甲硅烷 在 dihydrogen hexachloroplatinate(IV) hexahydrate 作用下， 以 异丙醇 为溶剂， 生成 (氯甲基)(二甲基){3-[(三甲基甲硅烷基)氧代]丙基}硅烷
  参考文献：
  名称：

  Synthesis and conformational analysis of 1,3-azasilinanes

  摘要：

  1-Isopropyl-3-methyl-3-phenyl-1,3-azasilinane 1 and 1-isopropyl-3,3-dimethyl-1,3-azasilinane 2 were synthesized and a detailed analysis of their NMR spectra, conformational equilibria and ring inversion processes is presented. Low temperature H-1/C-13 NMR spectroscopy, iteration of the H-1 NMR spectra and quantum chemical calculations showed slight predominance of the PheqMeax over the PhaxMeeq conformer of 1 at low temperature. The barrier for the chair to chair interconversion of both compounds was measured to be 8.25 kcal/mol. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.106

文献信息

• Silicon Heterocyclic Compounds. I. Synthesis of the 3-Sila-1-heterocyclohexanes¹
  作者：Ralph J. Fessenden、Marvin D. Coon

  DOI：10.1021/jo01029a082

  日期：1964.6
• Synthesis and conformational analysis of 1,3-azasilinanes
  作者：Bagrat A. Shainyan、Svetlana V. Kirpichenko、Erich Kleinpeter

  DOI：10.1016/j.tet.2012.05.106

  日期：2012.9

  1-Isopropyl-3-methyl-3-phenyl-1,3-azasilinane 1 and 1-isopropyl-3,3-dimethyl-1,3-azasilinane 2 were synthesized and a detailed analysis of their NMR spectra, conformational equilibria and ring inversion processes is presented. Low temperature H-1/C-13 NMR spectroscopy, iteration of the H-1 NMR spectra and quantum chemical calculations showed slight predominance of the PheqMeax over the PhaxMeeq conformer of 1 at low temperature. The barrier for the chair to chair interconversion of both compounds was measured to be 8.25 kcal/mol. (C) 2012 Elsevier Ltd. All rights reserved.