(1E,5E)-4-Benzotriazol-1-yl-4-ethoxy-1-phenyl-nona-1,5-dien-3-one | 190512-47-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (1E,5E)-4-Benzotriazol-1-yl-4-ethoxy-1-phenyl-nona-1,5-dien-3-one
• 英文别名: (1E,5E)-4-(benzotriazol-1-yl)-4-ethoxy-1-phenylnona-1,5-dien-3-one
• CAS: 190512-47-1
• 化学式: C₂₃H₂₅N₃O₂
• 分子量: 375.47
• InChiKey: KZJGTOSVQKAPTF-WWWFFXTOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  57
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1E,5E)-4-Benzotriazol-1-yl-4-ethoxy-1-phenyl-nona-1,5-dien-3-one 在 硫酸 作用下， 以 丙酮 为溶剂， 反应 1.5h， 以82%的产率得到(1E,5E)-1-Phenyl-nona-1,5-diene-3,4-dione
  参考文献：
  名称：

  Novel and Facile Syntheses of Alkenyl, Alkynyl, and Aryl 1,2-Diketones

  摘要：

  Novel and facile routes to alkenyl, alkynyl, and aryl 1,2-diketones utilize treatment of benzotriazole derivatives 1, 7a,b, and 15a-d with butyllithium and subsequent reaction with esters or acid chlorides to yield the substituted intermediates 2a-d, 8a,b, and 16a-g. Reactions of the deprotonated 1 and 7 with alpha,beta-unsaturated aldehydes followed by oxidation also produces similar intermediates 5 and 11a,b. Subsequent hydrolyses of the intermediates of type 2, 5, 8, 11, and 16 afford diverse 1,2-diketones in good yields.

  DOI：

  10.1021/jo970092j
• 作为产物：
  描述：

  (1E,5E)-4-Benzotriazol-1-yl-4-ethoxy-1-phenyl-nona-1,5-dien-3-ol 在 吡啶 、 chromium(VI) oxide 作用下， 反应 8.0h， 生成 (1E,5E)-4-Benzotriazol-1-yl-4-ethoxy-1-phenyl-nona-1,5-dien-3-one
  参考文献：
  名称：

  Novel and Facile Syntheses of Alkenyl, Alkynyl, and Aryl 1,2-Diketones

  摘要：

  Novel and facile routes to alkenyl, alkynyl, and aryl 1,2-diketones utilize treatment of benzotriazole derivatives 1, 7a,b, and 15a-d with butyllithium and subsequent reaction with esters or acid chlorides to yield the substituted intermediates 2a-d, 8a,b, and 16a-g. Reactions of the deprotonated 1 and 7 with alpha,beta-unsaturated aldehydes followed by oxidation also produces similar intermediates 5 and 11a,b. Subsequent hydrolyses of the intermediates of type 2, 5, 8, 11, and 16 afford diverse 1,2-diketones in good yields.

  DOI：

  10.1021/jo970092j

文献信息

• Novel and Facile Syntheses of Alkenyl, Alkynyl, and Aryl 1,2-Diketones
  作者：Alan R. Katritzky、Zuoquan Wang、Hengyuan Lang、Daming Feng

  DOI：10.1021/jo970092j

  日期：1997.6.13

  Novel and facile routes to alkenyl, alkynyl, and aryl 1,2-diketones utilize treatment of benzotriazole derivatives 1, 7a,b, and 15a-d with butyllithium and subsequent reaction with esters or acid chlorides to yield the substituted intermediates 2a-d, 8a,b, and 16a-g. Reactions of the deprotonated 1 and 7 with alpha,beta-unsaturated aldehydes followed by oxidation also produces similar intermediates 5 and 11a,b. Subsequent hydrolyses of the intermediates of type 2, 5, 8, 11, and 16 afford diverse 1,2-diketones in good yields.