N-{7-[(3-fluorophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}cyclopropanecarboxamide | 905808-81-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-{7-[(3-fluorophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}cyclopropanecarboxamide
• 英文别名: N-[7-(3-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide
• CAS: 905808-81-3
• 化学式: C₁₉H₁₆FNO₄
• mdl: MFCD08685677
• 分子量: 341.339
• InChiKey: IBJBMEVUMDVOJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-{7-[(3-fluorophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}cyclopropanecarboxamide 在 sodium tetrahydroborate 作用下， 生成 N-{7-[(3-fluorophenyl)(hydroxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl}cyclopropanecarboxamide
  参考文献：
  名称：

  Hydrochloric acid as an efficient catalyst for intermolecular condensation of alcohols. A simple and highly efficient synthesis of unsymmetrical ethers from benzylic alcohols and alkanols

  摘要：

  Benzylic alcohols and diarylmethanols with electron-donating substituents in the aromatic ring reacted with aliphatic alcohols in the presence of a catalytic amount of HCl to give the corresponding alkyl arylmethyl ethers. The reactivity of diarylmethanols in the intermolecular dehydration depended on the nature of substituents in the aromatic rings and structure of aliphatic alcohol.

  DOI：

  10.1134/s107042801509002x
• 作为产物：
  描述：

  6-amino-7-(m-fluorobenzoyl)-1,4-benzodioxane 、 环丙基甲酰氯 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以83%的产率得到N-{7-[(3-fluorophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}cyclopropanecarboxamide
  参考文献：
  名称：

  Synthesis of cyclopropyl-substituted 4H-3,1-benzoxazines from 2-amino-phenyl cyclopropyl ketones and 2-cyclopropanoylaminoacylbenzenes

  摘要：

  2- and 4-cyclopropyl- and 2,4-dicyclopropyl-substituted 4H-3,1-benzoxazines were synthesized by the intramolecular acid catalyzed heterocyclization of ortho-acylamino-substituted benzyl alcohols, obtained from 2-aminophenyl cyclopropyl ketones and 2-cyclopropanoylaminoacylbenzenes.

  DOI：

  10.1007/s10593-009-0251-5

文献信息

• Hydrochloric acid as an efficient catalyst for intermolecular condensation of alcohols. A simple and highly efficient synthesis of unsymmetrical ethers from benzylic alcohols and alkanols
  作者：S. S. Mochalov、A. N. Fedotov、E. V. Trofimova、N. S. Zefirov

  DOI：10.1134/s107042801509002x

  日期：2015.9

  Benzylic alcohols and diarylmethanols with electron-donating substituents in the aromatic ring reacted with aliphatic alcohols in the presence of a catalytic amount of HCl to give the corresponding alkyl arylmethyl ethers. The reactivity of diarylmethanols in the intermolecular dehydration depended on the nature of substituents in the aromatic rings and structure of aliphatic alcohol.
• Synthesis of cyclopropyl-substituted 4H-3,1-benzoxazines from 2-amino-phenyl cyclopropyl ketones and 2-cyclopropanoylaminoacylbenzenes
  作者：S. S. Mochalov、M. I. Khasanov、N. S. Zefirov

  DOI：10.1007/s10593-009-0251-5

  日期：2009.2

  2- and 4-cyclopropyl- and 2,4-dicyclopropyl-substituted 4H-3,1-benzoxazines were synthesized by the intramolecular acid catalyzed heterocyclization of ortho-acylamino-substituted benzyl alcohols, obtained from 2-aminophenyl cyclopropyl ketones and 2-cyclopropanoylaminoacylbenzenes.