(3Z)-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-1,1,1-trifluoropropan-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: (3Z)-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-1,1,1-trifluoropropan-2-one
• 英文别名: (3Z)-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1,1,1-trifluoropropan-2-one
• 化学式: C₁₄H₁₄F₃NO
• 分子量: 269.266
• InChiKey: AQGUWBMSKOCKAB-XFFZJAGNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3,3,3-trifluoroprop-1-en-2-amine 在 硫酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.05h， 以80%的产率得到(3Z)-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-1,1,1-trifluoropropan-2-one
  参考文献：
  名称：

  Reactions of 1,3,3-trimethyl-3,4-dihydroisoquinolines with polyhaloalkanonitriles

  摘要：

  The reactions of 1,3,3-trimethyl-3,4-dihydroisoquinolines with halogenated nitriles afford beta-aminovinylimines, which undergo acid hydrolysis to form 1-(polyhaloacylmethylene)-3,3-dimethyl-3,4-dihydroisoquinolines.

  DOI：

  10.1023/b:rucb.0000042281.14105.53

文献信息

• Synthesis and properties of 1-aroyl-5,5-dialkyl-2,3,5,6-tetrahydropyrrolo[ 2,1-a]isoquinoline-2,3-diones
  作者：A. G. Mikhailovskii、A. S. Yusov、O. V. Gashkova

  DOI：10.1134/s1070428016020111

  日期：2016.2

  Acylation of 1-methyl-3,3-dialkyl-3,4-dihydroisoquinolines with acid chlorides afforded enaminoketones. Enaminophenylketones from the obtained series were reacted with oxalyl chloride to provide 1-benzoyl-5,5-dialkyl-2,3,5,6- tetrahydropyrrolo[2,1-a]isoquinoline- 2,3-diones. The reaction of the latter with binucleophiles leads to the opening of the pyrrole ring and to the heterocyclization: Under the effect of o-phenyldiamine qinoxaline is formed, 1,2-cyclohexanediamine provides the hexahydro-benzimidazole system, D3/4-aminophenol gives benzoxazole, 3-hydroxy-2-amino-pyridine furnishes oxazolo[4,5-b]pyridine. In the reaction with hydrazine hydrate the acylation occurs with hydrazide formation.
• Reactions of 1,3,3-trimethyl-3,4-dihydroisoquinolines with polyhaloalkanonitriles
  作者：V. Ya. Sosnovskikh、B. I. Usachev、Yu. V. Shklyaev

  DOI：10.1023/b:rucb.0000042281.14105.53

  日期：2004.6

  The reactions of 1,3,3-trimethyl-3,4-dihydroisoquinolines with halogenated nitriles afford beta-aminovinylimines, which undergo acid hydrolysis to form 1-(polyhaloacylmethylene)-3,3-dimethyl-3,4-dihydroisoquinolines.