1-(1-Phenoxyundecyl)benzotriazole | 190512-61-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-(1-Phenoxyundecyl)benzotriazole
• CAS: 190512-61-9
• 化学式: C₂₃H₃₁N₃O
• 分子量: 365.519
• InChiKey: VNPHEQZNJKVEKN-UHFFFAOYSA-N

物化性质

• 沸点：
  511.4±33.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(1-Phenoxyundecyl)benzotriazole 在 正丁基锂 、 硫酸 作用下， 以 溶剂黄146 为溶剂， 反应 13.83h， 生成 1-(2-methylphenyl)-1,2-dodecanedione
  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：

  1-碘癸烷 、 1-(苯氧基甲基)-1H-苯并噻唑 在 正丁基锂 作用下， 生成 1-(1-Phenoxyundecyl)benzotriazole
  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