Mes2CH2COCH3GeFl | 135146-44-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: Mes2CH2COCH3GeFl
• 英文别名: 1-[9H-fluoren-9-yl-bis(2,4,6-trimethylphenyl)germyl]propan-2-one
• CAS: 135146-44-0
• 化学式: C₃₄H₃₆GeO
• 分子量: 533.249
• InChiKey: XIZZOURRLFKICR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.04
• 重原子数：
  36.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  (mesityl)2Ge(fluorenylidene) 在 acetone 作用下， 以 乙醚 为溶剂， 以90%的产率得到Mes2CH2COCH3GeFl
  参考文献：
  名称：

  来自胚芽的两种胚芽乙炔：形成和结构

  摘要：

  Dimesitylfluorenylidenegermane (1) reacts very readily with aldehydes and ketones, according to a [2 + 2] cycloaddition, leading to the corresponding germaoxetanes. These four-membered-ring heterocycles are quite stable, mainly due to the large steric hindrance of the substituents. In the case of acetone, reaction with the enolic form has been observed, followed by a germanotropic rearrangement. Germaoxetanes 3 (monoclinic, P2(1)/n, a = 12.668 (5) angstrom, b = 16.794 (6) angstrom, c = 14.600 (5) angstrom, beta = 90.25 (3)degrees, V = 3106 (2) angstrom 3, Z = 4, R = 0.0525) and 4 (monoclinic, P2(1)/c, a = 22.807 (5) angstrom, b = 17.713 (6) angstrom, c = 18.425 (4) angstrom, beta = 102.64 (2)degrees, V = 7263 (3) angstrom 3, Z = 8, R = 0.0697), obtained from benzaldehyde and benzophenone, have been characterized by X-ray diffraction methods and their data compared to those of the acyclic digermoxane 6 (triclinic, P1BAR, a = 13.002 (3), angstrom, b = 14.962 (2) angstrom, c = 16.094 (1) angstrom, alpha = 98.92 (1)degrees, beta = 95.90 (2)degrees, gamma = 114.52 (1)degrees, V = 2765 (1) angstrom 3, Z = 2, R = 0.0781) prepared by hydrolysis of germene 1.

  DOI：

  10.1021/om00052a024