Ethyl 4-(2-ethylhexoxy)benzoate | 1092772-27-4

• 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: Ethyl 4-(2-ethylhexoxy)benzoate
• CAS: 1092772-27-4
• 化学式: C₁₇H₂₆O₃
• 分子量: 278.392
• InChiKey: XVPAONPIUYQRSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 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：

  Ethyl 4-(2-ethylhexoxy)benzoate 在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以8.5 g的产率得到4-(2-Ethylhexoxy)benzohydrazide
  参考文献：
  名称：

  Self-assembly of linear-shaped bi-dihydrazine derivative through intermolecular quadruple hydrogen bonding

  摘要：

  A linear-shaped bi-1,3,4-oxadiazole derivative, oxalyl acid N',N'-di(4-(2 -ethylhexyloxy)benzoyl)-hydrazide (FH-Z8) was designed and synthesized. Quadruple hydrogen bonds between bi-dihydrazide units and pi-pi interactions cooperatively participated in forming supramolecules in chloroform at higher concentrations of FH-Z8. The association constants (K) in chloroform were 2.2 x 10(3) and 1.8 x 10(3) M-1 based on NH1 and NH2 in FH-Z8, respectively. FH-Z8 could gel dichloroethane efficiently with the critical gelation concentration (CGC) of 0.14 wt%, while spontaneously crystallized from the gel during storage. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.09.013
• 作为产物：
  描述：

  溴代异辛烷 、 过氧化氢酶 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 Ethyl 4-(2-ethylhexoxy)benzoate
  参考文献：
  名称：

  Self-assembly of linear-shaped bi-dihydrazine derivative through intermolecular quadruple hydrogen bonding

  摘要：

  A linear-shaped bi-1,3,4-oxadiazole derivative, oxalyl acid N',N'-di(4-(2 -ethylhexyloxy)benzoyl)-hydrazide (FH-Z8) was designed and synthesized. Quadruple hydrogen bonds between bi-dihydrazide units and pi-pi interactions cooperatively participated in forming supramolecules in chloroform at higher concentrations of FH-Z8. The association constants (K) in chloroform were 2.2 x 10(3) and 1.8 x 10(3) M-1 based on NH1 and NH2 in FH-Z8, respectively. FH-Z8 could gel dichloroethane efficiently with the critical gelation concentration (CGC) of 0.14 wt%, while spontaneously crystallized from the gel during storage. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.09.013

文献信息

• Self-assembly of linear-shaped bi-dihydrazine derivative through intermolecular quadruple hydrogen bonding
  作者：Songnan Qu、Min Li

  DOI：10.1016/j.tet.2008.09.013

  日期：2008.11

  A linear-shaped bi-1,3,4-oxadiazole derivative, oxalyl acid N',N'-di(4-(2 -ethylhexyloxy)benzoyl)-hydrazide (FH-Z8) was designed and synthesized. Quadruple hydrogen bonds between bi-dihydrazide units and pi-pi interactions cooperatively participated in forming supramolecules in chloroform at higher concentrations of FH-Z8. The association constants (K) in chloroform were 2.2 x 10(3) and 1.8 x 10(3) M-1 based on NH1 and NH2 in FH-Z8, respectively. FH-Z8 could gel dichloroethane efficiently with the critical gelation concentration (CGC) of 0.14 wt%, while spontaneously crystallized from the gel during storage. (C) 2008 Elsevier Ltd. All rights reserved.