2,4,6-triethylbenzylidene dichloride | 135962-98-0

• 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: 2,4,6-triethylbenzylidene dichloride
• 英文别名: 2-(dichloromethyl)-1,3,5-triethylbenzene
• CAS: 135962-98-0
• 化学式: C₁₃H₁₈Cl₂
• 分子量: 245.192
• InChiKey: KHMJDVBTMPEKPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,4,6-triethylbenzylidene dichloride 在 盐酸 、 四氯化钛 、 正丁醇 作用下， 以 二氯甲烷 为溶剂， 反应 25.0h， 生成 2,4,6-triethylisophthalaldehyde
  参考文献：
  名称：

  Synthesis of sterically hindered aromatic aldehydes

  摘要：

  Formylation of mesitylene, durene, and m-xylene derivatives containing electron-donor and electron-acceptor substituents by dichloromethyl methyl ether was studied in the presence of TiCl4. A series of functionally substituted sterically hindered benzaldehydes was prepared from the products of these reactions.

  DOI：

  10.1007/bf00961246
• 作为产物：
  描述：

  2,4,6-triethylbenzaldehyde 在 五氯化磷 作用下， 以96%的产率得到2,4,6-triethylbenzylidene 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

• Synthesis of sterically hindered aromatic aldehydes
  作者：A. P. Yakubov、D. V. Tsyganov、L. I. Belen'kii、M. M. Krayushkin

  DOI：10.1007/bf00961246

  日期：1991.7

  Formylation of mesitylene, durene, and m-xylene derivatives containing electron-donor and electron-acceptor substituents by dichloromethyl methyl ether was studied in the presence of TiCl4. A series of functionally substituted sterically hindered benzaldehydes was prepared from the products of these reactions.
• 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.