(2Z,5Z)-3-hydroxy-5-[3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]-1-phenylpent-2-ene-1,4-dione | 1193109-50-0

• 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: (2Z,5Z)-3-hydroxy-5-[3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]-1-phenylpent-2-ene-1,4-dione
• 英文别名: (2Z,5Z)-5-[3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]-3-hydroxy-1-phenylpent-2-ene-1,4-dione
• CAS: 1193109-50-0
• 化学式: C₂₂H₂₁NO₃
• 分子量: 347.414
• InChiKey: GASGHVFKTZROJQ-YLNLGVMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.85
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  66.4
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1,3,3-三甲基-3,4-二氢异喹啉 、 5-苯基呋喃-2,3-二酮 以 氯仿 为溶剂， 反应 0.5h， 以87%的产率得到(2Z,5Z)-3-hydroxy-5-[3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]-1-phenylpent-2-ene-1,4-dione
  参考文献：
  名称：

  Five-membered 2,3-dioxoheterocycles: LXIV. Reactions of 1-methyl-3,4-dihydroisoquinolines with 5-arylfuran-2,3-diones and (Z)-alkyl 4-aryl-2-hydroxy-4-oxobut-2-enoates. Crystal and molecular structure of (2Z,5Z)-3-hydroxy-5-{8,8-dimethyl-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]isoquinolin-6(7H)-ylidene}-1-phenylpent-2-ene-1,4-dione

  摘要：

  5-Arylfuran-2,3-diones and (Z)-alkyl 4-aryl-2-hydroxy-4-oxobut-2-enoates react with 3,3-dialkyl-1-methyl-3,4-dihydroisoquinolines to give (2Z,5Z)-1-aryl-3-hydroxy-5-[3,3-dialkyl-3,4-dihydroisoquinolin-1(2H)-ylidene]pent-2-ene-1,4-diones whose structure has been proved by XRD analysis.

  DOI：

  10.1134/s1070428009050145

文献信息

• Reaction of 1-methyl-3,4-dihydroisoquinolines with alkyl 4-aryl-2,4-dioxobutanoates
  作者：V. V. Khalturina、Yu. V. Shklyaev、A. N. Maslivets

  DOI：10.1134/s107042800906030x

  日期：2009.6