N,N'-(1,4-phenylene)dihexanamide | 328045-76-7

• 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: N,N'-(1,4-phenylene)dihexanamide
• 英文别名: N,N'-p-phenylene-bis-hexanamide；N.N'-Dihexanoyl-p-phenylendiamin；N,N'-p-Phenylen-bis-hexanamid；N.N'-Dicaproyl-p-phenylendiamin；N-[4-(hexanoylamino)phenyl]hexanamide
• CAS: 328045-76-7
• 化学式: C₁₈H₂₈N₂O₂
• 分子量: 304.433
• InChiKey: FOSAEIWYGFJZRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N'-(1,4-phenylene)dihexanamide 在 iron(III) chloride 、 溴 、 碘 作用下， 以 二氯甲烷 为溶剂， 反应 48.5h， 以72%的产率得到N,N'-(2,5-二溴-1,4-亚苯基)二己酰胺
  参考文献：
  名称：

  Oligo(p-phenyleneethynylene)s with Hydrogen-Bonded Coplanar Conformation

  摘要：

  A series of monodispersed oligo(p-phenyleneethynylene)s were synthesized bearing intramolecular hydrogen bonds between side chains of adjacent phenylene units in the backbone. Thus, all repeating units of the molecules are constrained in a coplanar orientation. Such planarized conformation is considered favorable for single-molecule conductance. Photophysical characterization results show narrowed bandgaps and extended conjugation lengths, consistent with a rigid, planar backbone framework as a result of intramolecular hydrogen bonding.

  DOI：

  10.1021/ol800753z
• 作为产物：
  描述：

  己酰氯 、 对苯二胺 生成 N,N'-(1,4-phenylene)dihexanamide
  参考文献：
  名称：

  Brogan, Journal of the Chemical Society, 1927, p. 1382

  摘要：

  DOI：

文献信息

• Brogan, Journal of the Chemical Society, 1927, p. 1382
  作者：Brogan

  DOI：——

  日期：——
• Oligo(<i>p</i>-phenyleneethynylene)s with Hydrogen-Bonded Coplanar Conformation
  作者：Wei Hu、Ningbo Zhu、Wen Tang、Dahui Zhao

  DOI：10.1021/ol800753z

  日期：2008.7.3

  A series of monodispersed oligo(p-phenyleneethynylene)s were synthesized bearing intramolecular hydrogen bonds between side chains of adjacent phenylene units in the backbone. Thus, all repeating units of the molecules are constrained in a coplanar orientation. Such planarized conformation is considered favorable for single-molecule conductance. Photophysical characterization results show narrowed bandgaps and extended conjugation lengths, consistent with a rigid, planar backbone framework as a result of intramolecular hydrogen bonding.
• Buu-Hoi, Bulletin de la Societe Chimique de France, 1945, vol. <5>12, p. 590,592
  作者：Buu-Hoi

  DOI：——

  日期：——