3,5-bis(chloromethyl)-2,4,6-trimethylbenzylidene dichloride | 135962-99-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,5-bis(chloromethyl)-2,4,6-trimethylbenzylidene dichloride
• 英文别名: 1,3-Bis(chloromethyl)-5-(dichloromethyl)-2,4,6-trimethylbenzene
• CAS: 135962-99-1
• 化学式: C₁₂H₁₄Cl₄
• 分子量: 300.055
• InChiKey: MMECMLGBUIGBGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  2,4-双(氯甲基)三甲基苯 在 五氯化磷 、 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 3,5-bis(chloromethyl)-2,4,6-trimethylbenzylidene dichloride
  参考文献：
  名称：

  Unusual effects of steric hindrances in NMR spectra of o,o′-dialkylsubstituted benzylidene dichlorides

  摘要：

  It has been found that steric hindrances of the CHCl2 group rotation around C(Ar)-CHCl2 bond in o,o'-dialkylsubstituted benzylidene dichlorides call forth a non-equivalence of the alkyls in positions 2 and 6. The non-equivalence displays in H-1 and C-13 NMR spectra at room temperature and at -20 degrees-C. At the latter temperature, the spectra of 2,4,6-trimethyl-3-chloromethylbenzylidene dichloride and bis(dichloromethyl)mesitylene indicate the presence of two conformations, the assignment of signals having been accomplished for each of them.

  DOI：

  10.1016/s0040-4020(01)87135-0

文献信息

• Unusual effects of steric hindrances in NMR spectra of o,o′-dialkylsubstituted benzylidene dichlorides
  作者：A.P. Yakubov、D.V. Tsyganov、L.I. Belen'kii、V.S. Bogdanov、B.I. Ugrak、M.M. Krayushkin

  DOI：10.1016/s0040-4020(01)87135-0

  日期：1991.1

  It has been found that steric hindrances of the CHCl2 group rotation around C(Ar)-CHCl2 bond in o,o'-dialkylsubstituted benzylidene dichlorides call forth a non-equivalence of the alkyls in positions 2 and 6. The non-equivalence displays in H-1 and C-13 NMR spectra at room temperature and at -20 degrees-C. At the latter temperature, the spectra of 2,4,6-trimethyl-3-chloromethylbenzylidene dichloride and bis(dichloromethyl)mesitylene indicate the presence of two conformations, the assignment of signals having been accomplished for each of them.