1,1,3,3,4-pentachloro-1,3-disilacyclopentane | 25202-55-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: 1,1,3,3,4-pentachloro-1,3-disilacyclopentane
• 英文别名: 1,1,3,3,4-Pentachloro-1,3-disilacyclopentan；1,1,3,3,4-pentachloro-1,3-disilolane
• CAS: 25202-55-5
• 化学式: C₃H₅Cl₅Si₂
• 分子量: 274.509
• InChiKey: XFFXPNFVJWMRBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.53
• 重原子数：
  10.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  1,1,3,3,4-pentachloro-1,3-disilacyclopentane 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氯化碳 为溶剂， 反应 2.0h， 以70%的产率得到1,1,3,3-tetrachloro-1,3-disilacyclopent-4-ene
  参考文献：
  名称：

  振动光谱，折皱势能函数和1,3-二硅环戊-4-烯的构象

  摘要：

  1,3-Disilacyclopent-4-ene has been synthesized and its far-infrared, mid-infrared, and Raman spectra have been analyzed. From the far-infrared data of the molecule in the vapor phase, which shows a series of 10 bands between 48 and 85 cm-1, the ring-puckering potential energy surface was determined to be V (cm-1) = 1.48 x 10(5)x4 + 0.30 x 10(4)x2, where x is the ring-puckering coordinate in angstroms. This shows the molecule to be planar but to be not nearly as rigid as silacyclopent-2-ene. Other features in the infrared, Raman, and NMR spectra confirm that the interactions between the silicon atoms and the carbon-carbon double bond, while present, are reduced relative to silacyclopent-2-ene.

  DOI：

  10.1021/j100170a021
• 作为产物：
  描述：

  1,1,3,3-tetrachloro-1,3-disilacyclopentane 在 磺酰氯 、 过氧化苯甲酰 作用下， 反应 8.0h， 以59%的产率得到1,1,3,3,4-pentachloro-1,3-disilacyclopentane
  参考文献：
  名称：

  振动光谱，折皱势能函数和1,3-二硅环戊-4-烯的构象

  摘要：

  1,3-Disilacyclopent-4-ene has been synthesized and its far-infrared, mid-infrared, and Raman spectra have been analyzed. From the far-infrared data of the molecule in the vapor phase, which shows a series of 10 bands between 48 and 85 cm-1, the ring-puckering potential energy surface was determined to be V (cm-1) = 1.48 x 10(5)x4 + 0.30 x 10(4)x2, where x is the ring-puckering coordinate in angstroms. This shows the molecule to be planar but to be not nearly as rigid as silacyclopent-2-ene. Other features in the infrared, Raman, and NMR spectra confirm that the interactions between the silicon atoms and the carbon-carbon double bond, while present, are reduced relative to silacyclopent-2-ene.

  DOI：

  10.1021/j100170a021

文献信息

• FRITZ G.; MITTAG J., Z. ANORG. UND ALLG. CHEM., 1979, 458, NO 11, 37-52
  作者：FRITZ G.、 MITTAG J.

  DOI：——

  日期：——