3,4-bis(hexyloxy)-2-methylbenzaldehyde | 144412-65-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,4-bis(hexyloxy)-2-methylbenzaldehyde
• 英文别名: 3,4-Bis(hexyloxy)-2-methylbenzaldehyd；3,4-Dihexoxy-2-methylbenzaldehyde
• CAS: 144412-65-7
• 化学式: C₂₀H₃₂O₃
• 分子量: 320.472
• InChiKey: JUHIUBFKVKPHMB-UHFFFAOYSA-N

物化性质

• 沸点：
  434.9±40.0 °C(Predicted)
• 密度：
  0.969±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  23
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-bis(hexyloxy)-2-methylbenzaldehyde 、 (4-hexyloxy-benzyl)-triphenyl-phosphonium bromide 在 乙醇 、 sodium 作用下， 以90%的产率得到(E)-und (Z)-1-<3,4-Bis(hexyloxy)-2-methylphenyl>-2-<4-(hexyloxy)phenyl>ethen
  参考文献：
  名称：

  Kretzschmann, Holger; Mueller, Klaus; Kolshorn, Heinz, Chemische Berichte, 1994, vol. 127, # 9, p. 1735 - 1746

  摘要：

  DOI：
• 作为产物：
  描述：

  1,1-二氯甲醚 、 1,2-bis(hexyloxy)-3-methylbenzene 在 四氯化锡 作用下， 以 二氯甲烷 为溶剂， 以70%的产率得到3,4-bis(hexyloxy)-2-methylbenzaldehyde
  参考文献：
  名称：

  [abc]-Annelated [18]annulenes

  摘要：

  A 3-fold stereoselective cyclocondensation of the azomethines 3 and 11 yields the [18]annulenes 4 and 12, respectively. The [abc]-annelation of naphthalene or phenanthrene systems realized here for the first time, leads to nonplanar molecules consisting of 'aromatic islands", which are connected by (E)-configured olefinic bridges. The absence of a diamagnetic ring current rules out a macrocyclic aromaticity. The NMR investigation, based on selective deuterations, is sustained by force field calculations (MMX). The disc-like compounds represent discotic mesogens of an enormous diameter. The formation of thermotropic liquid crystals can be achieved by the introduction of long flexible alkoxy chains.

  DOI：

  10.1021/jo00051a033

文献信息

• [abc]-Annelated [18]annulenes
  作者：Herbert Meier、Holger Kretzschmann、Heinz Kolshorn

  DOI：10.1021/jo00051a033

  日期：1992.12

  A 3-fold stereoselective cyclocondensation of the azomethines 3 and 11 yields the [18]annulenes 4 and 12, respectively. The [abc]-annelation of naphthalene or phenanthrene systems realized here for the first time, leads to nonplanar molecules consisting of 'aromatic islands", which are connected by (E)-configured olefinic bridges. The absence of a diamagnetic ring current rules out a macrocyclic aromaticity. The NMR investigation, based on selective deuterations, is sustained by force field calculations (MMX). The disc-like compounds represent discotic mesogens of an enormous diameter. The formation of thermotropic liquid crystals can be achieved by the introduction of long flexible alkoxy chains.
• Kretzschmann, Holger; Mueller, Klaus; Kolshorn, Heinz, Chemische Berichte, 1994, vol. 127, # 9, p. 1735 - 1746
  作者：Kretzschmann, Holger、Mueller, Klaus、Kolshorn, Heinz、Schollmeyer, Dieter、Meier, Herbert

  DOI：——

  日期：——