3-[1-(1,4-Dimethoxy-naphthalen-2-yl)-meth-(Z)-ylidene]-3H-isobenzofuran-1-one | 161363-62-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-[1-(1,4-Dimethoxy-naphthalen-2-yl)-meth-(Z)-ylidene]-3H-isobenzofuran-1-one
• 英文别名: (3Z)-3-[(1,4-dimethoxynaphthalen-2-yl)methylidene]-2-benzofuran-1-one
• CAS: 161363-62-8
• 化学式: C₂₁H₁₆O₄
• 分子量: 332.356
• InChiKey: GPTCENBWNDEMMR-UNOMPAQXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  四氢吡咯 、 3-[1-(1,4-Dimethoxy-naphthalen-2-yl)-meth-(Z)-ylidene]-3H-isobenzofuran-1-one 在 三甲基铝 作用下， 生成 2-(1,4-Dimethoxy-naphthalen-2-yl)-1-[2-(pyrrolidine-1-carbonyl)-phenyl]-ethanone
  参考文献：
  名称：

  The Synthesis of Radermachol

  摘要：

  Five different approaches to the preparation of 6,7-benzo-3,4-(1,4-dimethoxy-2,3-naphtho)-1,5-dioxosuberane (3), an intermediate needed for the synthesis of radermachol (1), the red pigment from the roots of Radermachera xylocarpa, are described. The synthesis of radermachol (1) has been accomplished from 1,4-nephthoquinone in 14 steps.

  DOI：

  10.1021/jo00105a046
• 作为产物：
  描述：

  2-(1,4-Dimethoxy-naphthalen-2-yl)-1-[2-(pyrrolidine-1-carbonyl)-phenyl]-ethanone 在 三氯氧磷 作用下， 以 苯 为溶剂， 以73%的产率得到3-[1-(1,4-Dimethoxy-naphthalen-2-yl)-meth-(Z)-ylidene]-3H-isobenzofuran-1-one
  参考文献：
  名称：

  The Synthesis of Radermachol

  摘要：

  Five different approaches to the preparation of 6,7-benzo-3,4-(1,4-dimethoxy-2,3-naphtho)-1,5-dioxosuberane (3), an intermediate needed for the synthesis of radermachol (1), the red pigment from the roots of Radermachera xylocarpa, are described. The synthesis of radermachol (1) has been accomplished from 1,4-nephthoquinone in 14 steps.

  DOI：

  10.1021/jo00105a046

文献信息

• The Synthesis of Radermachol
  作者：Balawant S. Joshi、Quingping Jiang、Taikyun Rho、S. William Pelletier

  DOI：10.1021/jo00105a046

  日期：1994.12

  Five different approaches to the preparation of 6,7-benzo-3,4-(1,4-dimethoxy-2,3-naphtho)-1,5-dioxosuberane (3), an intermediate needed for the synthesis of radermachol (1), the red pigment from the roots of Radermachera xylocarpa, are described. The synthesis of radermachol (1) has been accomplished from 1,4-nephthoquinone in 14 steps.