4-Methoxythiophenol, S-trifluoroacetyl- | 1173163-97-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚酯
• 英文名称: 4-Methoxythiophenol, S-trifluoroacetyl-
• 英文别名: S-(4-methoxyphenyl) 2,2,2-trifluoroethanethioate
• CAS: 1173163-97-7
• 化学式: C₉H₇F₃O₂S
• 分子量: 236.215
• InChiKey: WABGNCLRHMRUAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-Methoxythiophenol, S-trifluoroacetyl- 、 苯硼酸 在 tris-(dibenzylideneacetone)dipalladium(0) 、 噻吩-2-甲酸亚铜(I) 、 三(2-呋喃基)膦 作用下， 以 四氢呋喃 为溶剂， 以20%的产率得到2,2,2-三氟苯乙酮
  参考文献：
  名称：

  Palladium-catalyzed fluoroacylation of (Hetero)arylboronic acid with fluorothioacetates at ambient temperature

  摘要：

  A palladium-catalyzed fluoroacylation of (hetero)aryl boronic acid with the fluorothioacetates is described at ambient temperature. A variety of aryl, and heteroaryl boronic acids are compatible in the reaction, affording the corresponding fluoroalkyl ketones in moderate to good yields. Further late-stage di-, and trifluoroacylation of drug molecule clofibrate and estrone demonstrated the synthetic practicability of this protocol.2009 Elsevier Ltd. All rights reserved. (C) 2020 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2020.151780

文献信息

• Transition-metal-catalyzed regioselective aroyl- and trifluoro-acetylthiolation of alkynes using thioesters
  作者：Yasunori Minami、Hitoshi Kuniyasu、Kiyoshi Miyafuji、Nobuaki Kambe

  DOI：10.1039/b900492k

  日期：——

  Intermolecular CO-retained carbothiolation of alkynes using thioesters took place to afford beta-SR substituted enone derivatives; the choice of catalyst (Pd(dba)(2)-dppe) and the introduction of a CF(3) group into the thioesters are the key to achieving the transformation.

  使用硫代酯进行炔烃的分子间CO保留的碳硫羰基化反应，得到β-SR取代的烯酮衍生物；选择催化剂（Pd（dba）（2）-dppe）以及将CF（3）基团引入硫酯中是实现转化的关键。
• Palladium-catalyzed fluoroacylation of (Hetero)arylboronic acid with fluorothioacetates at ambient temperature
  作者：Xing Yi、Ya-Fang Cao、Xing Wang、Hui Xu、Shu-Rong Ban、Hui-Xiong Dai

  DOI：10.1016/j.tetlet.2020.151780

  日期：2020.4

  A palladium-catalyzed fluoroacylation of (hetero)aryl boronic acid with the fluorothioacetates is described at ambient temperature. A variety of aryl, and heteroaryl boronic acids are compatible in the reaction, affording the corresponding fluoroalkyl ketones in moderate to good yields. Further late-stage di-, and trifluoroacylation of drug molecule clofibrate and estrone demonstrated the synthetic practicability of this protocol.2009 Elsevier Ltd. All rights reserved. (C) 2020 Elsevier Ltd. All rights reserved.