3-carbamoyl phthalide | 4792-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 3-carbamoyl phthalide
• 英文别名: Phthalid-carbonsaeure-(3)-amid；3-oxo-1,3-dihydro-isobenzofuran-1-carboxylic acid amide；3-oxo-phthalan-1-carboxylic acid amide；3-Oxo-phthalan-1-carbonsaeure-amid；3-Oxo-1,3-dihydroisobenzofuran-1-carboxamide；3-oxo-1H-2-benzofuran-1-carboxamide
• CAS: 4792-32-9
• 化学式: C₉H₇NO₃
• 分子量: 177.159
• InChiKey: UNNNRTAKJYMLEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-carbamoyl phthalide 、 苯胺 以 xylene 为溶剂， 反应 4.0h， 以10 mg的产率得到3-phenylcarbamoyl phthalide
  参考文献：
  名称：

  N-苯基邻苯二甲酰亚胺的光化学：在叔胺存在下形成取代的二氢异香豆素。

  摘要：

  通过在叔胺存在下照射N-苯基邻苯二甲酰亚胺获得N-苯基邻苯二甲酰亚胺和3，4-二氢异香豆素。δ-内酯结构通过另一种合成方法得到了证明，该合成方法也产生了异构体γ-内酯。讨论了光反应的关键步骤，以及胺，氧和几种潜在中间体的作用。

  DOI：

  10.1016/0040-4020(95)00271-9
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 3-carbamoyl phthalide
  参考文献：
  名称：

  Vene; Graff, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1944, vol. 218, p. 625

  摘要：

  DOI：

文献信息

• Tscherniac, Journal of the Chemical Society, 1916, vol. 109, p. 1238
  作者：Tscherniac

  DOI：——

  日期：——
• Design and synthesis of tricyclic derivatives as high density lipoprotein cholesterol enhancers
  作者：Hassan Elokdah、Sie-Yearl Chai、Douglas Ho、Theodore Sulkowski

  DOI：10.1016/s0960-894x(00)00668-5

  日期：2001.2

  A pharmacophore for increasing HDLC was proposed based on common structural features of non-thio-containing compounds with HDLC enhancing properties. A search of the compound database identified various series of these non-thio-containing compounds, including a novel tricyclic imidazoisoquinolone. Preparation of 1-aryl-3-oxo-1,3- dihydro-2-benzofuran-1-carbooxamides using a novel and widely applicable one-step process from 2-acyl benzoic acids is reported. Reaction of diamines with 1-aryl-3-oxo-1,3-dihydro-2-benzofuran-1-carboxamides and related aza-analogues proceeded with regio-control to furnish imidazoisoquinolones, pyrimidoisoquinolones, and imidazonaphthqridines. NMR studies and X-ray crystallography confirmed the regiochemistry of the products. Compounds of these series increased concentrations of HDLC in test animals following oral administration. (C) 2001 Elsevier Science Ltd. All rights reserved.
• The photochemistry of N-phenyl phthalonimide: Formation of substituted dihydroisocoumarins in the presence of tertiary amines.
  作者：Rafael Suau、Ezequiel P. de Inestrosa Villatoro

  DOI：10.1016/0040-4020(95)00271-9

  日期：1995.5

  phthalimide and 3,4-Dihydroisocoumarins were obtained by irradiation of N-phenyl phthalonimide in the presence of tertiary amines. The δ-lactone structure was demonstrated via an alternative synthesis that gave the isomeric γ-lactone as well. The key steps of the photoreaction, and the role of the amine, oxygen and several potential intermediates are discussed.

  通过在叔胺存在下照射N-苯基邻苯二甲酰亚胺获得N-苯基邻苯二甲酰亚胺和3，4-二氢异香豆素。δ-内酯结构通过另一种合成方法得到了证明，该合成方法也产生了异构体γ-内酯。讨论了光反应的关键步骤，以及胺，氧和几种潜在中间体的作用。
• Vene; Graff, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1944, vol. 218, p. 625
  作者：Vene、Graff

  DOI：——

  日期：——

表征谱图