4-methylbenzoic acid quinolin-6-yl ester

• 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: 4-methylbenzoic acid quinolin-6-yl ester
• 英文别名: Quinolin-6-yl 4-methylbenzoate；quinolin-6-yl 4-methylbenzoate
• 化学式: C₁₇H₁₃NO₂
• 分子量: 263.296
• InChiKey: QSOYEXMYMUNCQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methylbenzoic acid quinolin-6-yl ester 、 spiro[9H-fluorene-9,3'-[3H]-pyrazole]-4',5'-dicarbonitrile 以 四氢呋喃 为溶剂， 反应 1.0h， 以18%的产率得到6-(4-methylbenzoyl)-spiro[9H-fluorene-9,3'-(3'aH)pyrrolo[1,2-a]quinoline]-1',2'-dicarbonitrile
  参考文献：
  名称：

  All-Photonic Molecular Half-Adder

  摘要：

  One molecule acts as both an AND and an XOR Boolean logic gate that share the same two photonic inputs. The molecule comprises a half-adder, adding two binary digits with only light as inputs and outputs, and consists of three covalently linked photochromic moieties, a spiropyran and two quinolinederived dihydroindolizines. The AND function is based on the absorption properties of the molecule, whereas the XOR function is based on an off-on-off response of the fluorescence to the inputs that results from interchromophore excited-state quenching interactions. The half-adder is simple to operate and can be cycled many times.

  DOI：

  10.1021/ja0654579
• 作为产物：
  描述：

  6-羟基喹啉 、 对甲基苯甲酸 在 N-甲基吗啉 、 2,4-二甲氧基-1,3,5-三嗪 、 3-chloro-4,6 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 以61%的产率得到4-methylbenzoic acid quinolin-6-yl ester
  参考文献：
  名称：

  All-Photonic Molecular Half-Adder

  摘要：

  One molecule acts as both an AND and an XOR Boolean logic gate that share the same two photonic inputs. The molecule comprises a half-adder, adding two binary digits with only light as inputs and outputs, and consists of three covalently linked photochromic moieties, a spiropyran and two quinolinederived dihydroindolizines. The AND function is based on the absorption properties of the molecule, whereas the XOR function is based on an off-on-off response of the fluorescence to the inputs that results from interchromophore excited-state quenching interactions. The half-adder is simple to operate and can be cycled many times.

  DOI：

  10.1021/ja0654579

文献信息

• All-Photonic Molecular Half-Adder
  作者：Joakim Andréasson、Stephen D. Straight、Gerdenis Kodis、Choong-Do Park、Michael Hambourger、Miguel Gervaldo、Bo Albinsson、Thomas A. Moore、Ana L. Moore、Devens Gust

  DOI：10.1021/ja0654579

  日期：2006.12.1

  One molecule acts as both an AND and an XOR Boolean logic gate that share the same two photonic inputs. The molecule comprises a half-adder, adding two binary digits with only light as inputs and outputs, and consists of three covalently linked photochromic moieties, a spiropyran and two quinolinederived dihydroindolizines. The AND function is based on the absorption properties of the molecule, whereas the XOR function is based on an off-on-off response of the fluorescence to the inputs that results from interchromophore excited-state quenching interactions. The half-adder is simple to operate and can be cycled many times.