7-(difluoromethyl)-7-hydroxy-4,9-dimethoxy-6,7-dihydro-5H-furo[3,2-g]chromen-5-one | 376384-40-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 7-(difluoromethyl)-7-hydroxy-4,9-dimethoxy-6,7-dihydro-5H-furo[3,2-g]chromen-5-one
• 英文别名: 7-(difluoromethyl)-7-hydroxy-4,9-dimethoxy-6H-furo[3,2-g]chromen-5-one
• CAS: 376384-40-6
• 化学式: C₁₄H₁₂F₂O₆
• 分子量: 314.242
• InChiKey: SGBOMOZXKGIRBM-UHFFFAOYSA-N

物化性质

• 沸点：
  506.3±50.0 °C(Predicted)
• 密度：
  1.467±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  78.1
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  7-(difluoromethyl)-7-hydroxy-4,9-dimethoxy-6,7-dihydro-5H-furo[3,2-g]chromen-5-one 在 盐酸 、 三乙胺 作用下， 以 溶剂黄146 为溶剂， 反应 48.08h， 生成 methyl 2-(difluoromethyl)-5-hydroxy-6,10-dimethoxy-4,5-dihydro-2,5-methanofuro[3,2-h][1,3]benzoxathiepine-4-carboxylate
  参考文献：
  名称：

  7-Polyfluoroalkylnorkhellins: synthesis and reactions with alkyl mercaptoacetates

  摘要：

  New R-F-containing benzofuran derivatives of 2-oxa-7-thiabicyclo[3.2.1]octane and dihydrothienopsoralens were synthesized from 7-polyfluoroalkylnorkhellins and alkyl mercaptoacetates. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00252-7
• 作为产物：
  描述：

  二氟乙酸乙酯 、 凯林酮 在 lithium hydride 作用下， 以 四氢呋喃 为溶剂， 以97%的产率得到7-(difluoromethyl)-7-hydroxy-4,9-dimethoxy-6,7-dihydro-5H-furo[3,2-g]chromen-5-one
  参考文献：
  名称：

  7-Polyfluoroalkylnorkhellins: synthesis and reactions with alkyl mercaptoacetates

  摘要：

  New R-F-containing benzofuran derivatives of 2-oxa-7-thiabicyclo[3.2.1]octane and dihydrothienopsoralens were synthesized from 7-polyfluoroalkylnorkhellins and alkyl mercaptoacetates. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00252-7

文献信息

• 6-Polyfluoroacyl- and 6-trichloroacetylnorkhellins: Synthesis and reaction with aromatic amines
  作者：Vyacheslav Ya. Sosnovskikh、Roman A. Irgashev

  DOI：10.1002/hc.20174

  日期：——

  Five new 6-polyhaloacylnorkhellins were synthesized in high yields from diethoxymethyl acetate and the condensation products of khellinone with RFCO2Et and CCl3COCl. Reaction of 6-polyfluoroacylnorkhellins with primary aromatic amines yielded 6-(arylaminomethylene)-7-hydroxy-4,9-dimethoxy-7-(polyfluoroalkyl)furo[3,2-g]chroman-5-ones. © 2006 Wiley Periodicals, Inc. Heteroatom Chem 17:99–103, 2006; Published

  以醋酸二乙氧基甲酯和大黄酮与 RFCO2Et 和 CCl3COCl 的缩合产物为原料，以高收率合成了五种新的 6-多卤酰降甲素。6-polyfluoroacylnorkhellins 与伯芳香胺的反应产生 6-(arylaminomethylene)-7-hydroxy-4,9-dimethoxy-7-(polyfluoroalkyl) furo[3,2-g]chroman-5-ones。© 2006 Wiley Periodicals, Inc. 杂原子化学 17:99–103, 2006; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.20174
• 7-Polyfluoroalkylnorkhellins: synthesis and reactions with alkyl mercaptoacetates
  作者：Vyacheslav Ya Sosnovskikh、Boris I Usachev、Ivan I Vorontsov

  DOI：10.1016/s0040-4020(03)00252-7

  日期：2003.3

  New R-F-containing benzofuran derivatives of 2-oxa-7-thiabicyclo[3.2.1]octane and dihydrothienopsoralens were synthesized from 7-polyfluoroalkylnorkhellins and alkyl mercaptoacetates. (C) 2003 Elsevier Science Ltd. All rights reserved.