{2-[(Anthracene-9-carbonyl)-amino]-acetylamino}-acetic acid 11-[(E)-3-(2,2-diphenyl-ethylcarbamoyl)-acryloylamino]-undecyl ester | 792917-45-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: {2-[(Anthracene-9-carbonyl)-amino]-acetylamino}-acetic acid 11-[(E)-3-(2,2-diphenyl-ethylcarbamoyl)-acryloylamino]-undecyl ester
• 英文别名: 11-[[(E)-4-(2,2-diphenylethylamino)-4-oxobut-2-enoyl]amino]undecyl 2-[[2-(anthracene-9-carbonylamino)acetyl]amino]acetate
• CAS: 792917-45-4
• 化学式: C₄₈H₅₄N₄O₆
• 分子量: 782.98
• InChiKey: QBTNFUNPLCGUGM-ZQHSETAFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  58
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  143
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,5-吡啶二甲酰氯 、 1,4-苯二甲胺 、 {2-[(Anthracene-9-carbonyl)-amino]-acetylamino}-acetic acid 11-[(E)-3-(2,2-diphenyl-ethylcarbamoyl)-acryloylamino]-undecyl ester 以 氯仿 、 三乙胺 为溶剂， 以48%的产率得到
  参考文献：
  名称：

  A Generic Basis for Some Simple Light-Operated Mechanical Molecular Machines

  摘要：

  A novel type of mechanical switch is described in which light-induced translation of a macrocycle in a [2]rotaxane quenches anthracene fluorescence. Features of the system include the remarkable 200:1 difference in fluorescence intensity between the two positional states of the molecule ( approximately 85:1 between one isomer and the photostationary state). In principle the same concept could be used for mechanically switching virtually any property that can be influenced by functional group proximity effects.

  DOI：

  10.1021/ja0484193
• 作为产物：
  描述：

  11-aminoundecan-1-ol 在 4-二甲氨基吡啶 、 sodium hydroxide 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 {2-[(Anthracene-9-carbonyl)-amino]-acetylamino}-acetic acid 11-[(E)-3-(2,2-diphenyl-ethylcarbamoyl)-acryloylamino]-undecyl ester
  参考文献：
  名称：

  A Generic Basis for Some Simple Light-Operated Mechanical Molecular Machines

  摘要：

  A novel type of mechanical switch is described in which light-induced translation of a macrocycle in a [2]rotaxane quenches anthracene fluorescence. Features of the system include the remarkable 200:1 difference in fluorescence intensity between the two positional states of the molecule ( approximately 85:1 between one isomer and the photostationary state). In principle the same concept could be used for mechanically switching virtually any property that can be influenced by functional group proximity effects.

  DOI：

  10.1021/ja0484193

文献信息

• A Generic Basis for Some Simple Light-Operated Mechanical Molecular Machines
  作者：Emilio M. Pérez、David T. F. Dryden、David A. Leigh、Gilberto Teobaldi、Francesco Zerbetto

  DOI：10.1021/ja0484193

  日期：2004.10.1

  A novel type of mechanical switch is described in which light-induced translation of a macrocycle in a [2]rotaxane quenches anthracene fluorescence. Features of the system include the remarkable 200:1 difference in fluorescence intensity between the two positional states of the molecule ( approximately 85:1 between one isomer and the photostationary state). In principle the same concept could be used for mechanically switching virtually any property that can be influenced by functional group proximity effects.