3-cyclopropyl-4-iodo-1H-isochromen-1-one | 1420787-10-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异香豆素及其衍生物
• 英文名称: 3-cyclopropyl-4-iodo-1H-isochromen-1-one
• CAS: 1420787-10-5
• 化学式: C₁₂H₉IO₂
• 分子量: 312.107
• InChiKey: ZWERRRVAFLKBHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  30.21
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  在 Oxone 、 四丁基碘化铵 作用下， 以 水 、 1,2-二氯乙烷 为溶剂， 以65%的产率得到3-cyclopropyl-4-iodo-1H-isochromen-1-one
  参考文献：
  名称：

  Generation of 4-iodoisocoumarins through a TBAI-mediated oxidative cyclization of 2-alkynoates

  摘要：

  A tetra-butylammonium iodide (TBAI)-mediated oxidative iodocyclization of 2-alkynoates for the synthesis of various 4-iodoisocoumarin is described herein, and the reaction is highly efficient and shows broad functional group tolerance. This newly developed reaction uses a mixture of water and DCE as co-solvent, and avoids the use of iodine as iodine source for the electrophilic halocyclization.[GRAPHICS].

  DOI：

  10.1080/00397911.2018.1465094

文献信息

• Use of iodine for efficient and chemoselective glycosylation with glycosyl ortho-alkynylbenzoates as donor in presence of thioglycosides
  作者：Samrat Dutta、Swarbhanu Sarkar、Shyam Ji Gupta、Asish Kumar Sen

  DOI：10.1016/j.tetlet.2012.11.101

  日期：2013.2

  A novel and high yielding glycosylation protocol with glycosyl ortho-alkynylbenzoates as donors and iodine as promoter is described. The donors are stable and can be chemoselectively activated in the presence of thioethyl and thiophenyl glycosides. The application of this methodology in one-pot consecutive glycosylation reaction is described. (C) 2012 Elsevier Ltd. All rights reserved.