4-[3-(羟甲基)苯基]-2-甲基丁-3-炔-2-醇 | 208943-28-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-[3-(羟甲基)苯基]-2-甲基丁-3-炔-2-醇
• 英文名称: 4-(3-hydroxymethylphenyl)2-methylbut-3-yn-2-ol
• 英文别名: 4-(3-(Hydroxymethyl)phenyl)-2-methylbut-3-yn-2-ol；4-[3-(hydroxymethyl)phenyl]-2-methylbut-3-yn-2-ol
• CAS: 208943-28-6
• 化学式: C₁₂H₁₄O₂
• 分子量: 190.242
• InChiKey: WYDMAXKZOHLQJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[3-(羟甲基)苯基]-2-甲基丁-3-炔-2-醇 在 氢氧化钾 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 、 苯 为溶剂， 生成 3-乙炔基苯甲醛
  参考文献：
  名称：

  摘要：

  2-(Arylylethynylphenyl)-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxides 12 and 13 were synthesized by cross-coupling of aryl iodides with 1-alkynes containing the 4,4,5,5-tetramethyl-2-imidazoline- 1-oxyl 3-oxide fragment. A procedure was developed for the preparation of 3- and 4-ethynylbenzaldehydes with the use of 2-methylbut-3-yn-2-ol.

  DOI：

  10.1023/a:1015026200647
• 作为产物：
  描述：

  3-碘苯甲醛 在 palladium diacetate sodium tetrahydroborate 、 copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 以 甲醇 、 苯 为溶剂， 生成 4-[3-(羟甲基)苯基]-2-甲基丁-3-炔-2-醇
  参考文献：
  名称：

  摘要：

  2-(Arylylethynylphenyl)-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxides 12 and 13 were synthesized by cross-coupling of aryl iodides with 1-alkynes containing the 4,4,5,5-tetramethyl-2-imidazoline- 1-oxyl 3-oxide fragment. A procedure was developed for the preparation of 3- and 4-ethynylbenzaldehydes with the use of 2-methylbut-3-yn-2-ol.

  DOI：

  10.1023/a:1015026200647

文献信息

• Pd-Mediated C-C Bond Formation with Olefins and Acetylenes on Solid Support: A Scope and Limitations Study
  作者：Sabine Berteina、Sebastian Wendeborn、Wolfgang K.-D. Brill、Alain De Mesmaeker

  DOI：10.1055/s-1998-22662

  日期：1998.6

  In this paper we report the scope and limitations of Pd(0)-mediated coupling reactions between aromatic iodides linked to a polystyrene resin and terminal acetylenes and olefins (Heck reactions). Optimized reaction conditions were evaluated with a number of different reagents. The optimized reaction conditions were frequently found to be superior to those previously reported in the literature and resulted in excellent yields of the products upon cleavage from the solid phase.

  本文报道了Pd(0)介导的芳基碘化物与聚苯乙烯树脂连接的末端乙炔和烯烃（Heck反应）之间的耦合反应的范围和局限性。通过多种不同试剂评估了优化的反应条件。发现优化的反应条件通常优于文献中之前报道的条件，并在从固相裂解时产生了优异的产物收率。
• Synthesis and applications of tert-alkoxysiloxane linkers in solid-phase chemistry
  作者：Marco M. Meloni、Peter D. White、Duncan Armour、Richard C.D. Brown

  DOI：10.1016/j.tet.2006.10.052

  日期：2007.1

  Straightforward syntheses of two tert-alkoxysilyl chloride functionalised resins 3 and 31 that allow facile attachment of 1 degrees, 2 degrees, 3 degrees alcohols and phenols to the solid-phase have been achieved. Resin 3 displayed useful loading levels (0.7 mmol/g), and it was stable to storage in activated form. Siloxanes from reaction of 3 with alcohols and phenols were compatible with a variety of reaction conditions commonly used in solid-phase synthesis. (c) 2006 Published by Elsevier Ltd.
• HPK1 INHIBITORS, PREPARATION METHOD AND APPLICATION THEREOF
  申请人：Zhuhai Yufan Biotechnologies Co., Ltd

  公开号：EP3781563B1

  公开（公告）日：2022-06-29
• ——
  作者：S. V. Klyatskaya、E. V. Tretyakov、S. F. Vasilevsky

  DOI：10.1023/a:1015026200647

  日期：——

  2-(Arylylethynylphenyl)-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxides 12 and 13 were synthesized by cross-coupling of aryl iodides with 1-alkynes containing the 4,4,5,5-tetramethyl-2-imidazoline- 1-oxyl 3-oxide fragment. A procedure was developed for the preparation of 3- and 4-ethynylbenzaldehydes with the use of 2-methylbut-3-yn-2-ol.