NSC130831

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: NSC130831
• 英文别名: (2-phenylquinoline-4-carbonyl) 2-phenylquinoline-4-carboxylate；2-phenyl-quinoline-4-carboxylic acid-anhydride；2-Phenyl-chinolin-4-carbonsaeure-anhydrid
• 化学式: C₃₂H₂₀N₂O₃
• 分子量: 480.522
• InChiKey: QVASOVLDVSRQPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  NSC130831 、 异山梨醇 在 lead(II) oxide 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Structural Analysis of Chiral Dopants in Nematic Systems by Example of Ether-Ester-Substituted 1,4:3,6-Dianhydrohexitols

  摘要：

  Series of ether-ester-substituted 1,4:3,6-dianhydrohexitols were synthesized and studied as chiral dopants to nematics as compositions with 4 '-pentyl-4-cyanobiphenyl. The most helical twisting power was found for bis-esters. Lesser values were found for mixed ether-esters with certain configuration. Other ethers and ether-esters revealed noticeably smaller values. Supramolecular peculiarities of such systems and their role in helical twisting are discussed.

  DOI：

  10.1080/15421406.2013.833476
• 作为产物：
  描述：

  2-苯基-4-喹啉羧酸 在 Pd-BaSO₄ 、 氯化亚砜 、 xylene 作用下， 生成 NSC130831
  参考文献：
  名称：

  Rojahn; Schulten, Archiv der Pharmazie, 1926, p. 350

  摘要：

  DOI：

文献信息

• Rojahn; Schulten, Archiv der Pharmazie, 1926, p. 350
  作者：Rojahn、Schulten

  DOI：——

  日期：——
• Structural Analysis of Chiral Dopants in Nematic Systems by Example of Ether-Ester-Substituted 1,4:3,6-Dianhydrohexitols
  作者：Ivan M. Gella、Tatyana G. Drushlyak、Nikolay L. Babak、Nataly B. Novikova、Victoria V. Lipson

  DOI：10.1080/15421406.2013.833476

  日期：2014.3.4

  Series of ether-ester-substituted 1,4:3,6-dianhydrohexitols were synthesized and studied as chiral dopants to nematics as compositions with 4 '-pentyl-4-cyanobiphenyl. The most helical twisting power was found for bis-esters. Lesser values were found for mixed ether-esters with certain configuration. Other ethers and ether-esters revealed noticeably smaller values. Supramolecular peculiarities of such systems and their role in helical twisting are discussed.