4-[4-(3-hydroxypropoxy)phenyl]-2-methyl-3-butyn-2-ol | 154962-36-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[4-(3-hydroxypropoxy)phenyl]-2-methyl-3-butyn-2-ol
• 英文别名: 4-[4-(3-Hydroxypropoxy)phenyl]-2-methylbut-3-yn-2-ol
• CAS: 154962-36-4
• 化学式: C₁₄H₁₈O₃
• 分子量: 234.295
• InChiKey: IKAAOWKQNCKUNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[4-(3-hydroxypropoxy)phenyl]-2-methyl-3-butyn-2-ol 在 sodium hydride 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 2.0h， 生成 3-(4-ethynylphenoxy)propyl methanesulfonate
  参考文献：
  名称：

  An efficient F-18 labeling method for PET study: Huisgen 1,3-dipolar cycloaddition of bioactive substances and F-18-labeled compounds

  摘要：

  The Cu(I)-catalyzed, 1,3-dipolar cycloaddition reaction was applied successfully to the synthesis of small, F-18-labeled biomolecules, and an optimal condition was developed for one-pot, two-step reaction without any interim purifications. This technique was employed in various F-18-labeled, 1,2,3-triazole syntheses with high radiochemical yield. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.04.048
• 作为产物：
  描述：

  4-溴苯酚 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 potassium carbonate 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 4-[4-(3-hydroxypropoxy)phenyl]-2-methyl-3-butyn-2-ol
  参考文献：
  名称：

  An efficient F-18 labeling method for PET study: Huisgen 1,3-dipolar cycloaddition of bioactive substances and F-18-labeled compounds

  摘要：

  The Cu(I)-catalyzed, 1,3-dipolar cycloaddition reaction was applied successfully to the synthesis of small, F-18-labeled biomolecules, and an optimal condition was developed for one-pot, two-step reaction without any interim purifications. This technique was employed in various F-18-labeled, 1,2,3-triazole syntheses with high radiochemical yield. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.04.048

文献信息

• An efficient F-18 labeling method for PET study: Huisgen 1,3-dipolar cycloaddition of bioactive substances and F-18-labeled compounds
  作者：Uthaiwan Sirion、Hee Jun Kim、Jae Hak Lee、Jai Woong Seo、Byoung Se Lee、Sang Ju Lee、Seung Jun Oh、Dae Yoon Chi

  DOI：10.1016/j.tetlet.2007.04.048

  日期：2007.6

  The Cu(I)-catalyzed, 1,3-dipolar cycloaddition reaction was applied successfully to the synthesis of small, F-18-labeled biomolecules, and an optimal condition was developed for one-pot, two-step reaction without any interim purifications. This technique was employed in various F-18-labeled, 1,2,3-triazole syntheses with high radiochemical yield. (c) 2007 Elsevier Ltd. All rights reserved.