3-((4-methoxyphenyl)thio)-3-phenylpropanoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-((4-methoxyphenyl)thio)-3-phenylpropanoic acid
• 英文别名: 3-(4-Methoxyphenyl)sulfanyl-3-phenylpropanoic acid
• 化学式: C₁₆H₁₆O₃S
• 分子量: 288.367
• InChiKey: OBKSNGMUBCHUSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  肉桂酸 、 4-甲氧基苯硫酚 在 碘 作用下， 以89 %的产率得到3-((4-methoxyphenyl)thio)-3-phenylpropanoic acid
  参考文献：
  名称：

  [EN] FLUORINATION PROCESS
  [FR] PROCÉDÉ DE FLUORATION

  摘要：

  The present disclosure relates to processes for the fluorination of molecules. One aspect provides a process for incorporating a fluorine atom into a molecule, said process comprising converting a compound of formula X—SG into a compound of formula X—F, wherein G is an optionally substituted C1-C6alkyl group, an optionally substituted aryl group, or an optionally substituted heteroaryl group, and X is an organic group; and wherein the SG group is attached to a secondary or tertiary carbon atom in the organic group X; said process comprising treating said compound of formula X—SG with (i) an activator compound selected from the group consisting of N-halosuccinimides, N-halobenzenesulfonimides, N-halobenzenesulfonamides, dialkylaminodihalosulfinium salts, heterocyclylaminodihalosulfinium salts, dialkylaminosulfur trihalides, XeF2, difluoroiodotoluene, di-and tri-bromoisocyanuric acids, bromine, chlorine, hypervalent iodine compounds with I2; and other sources of Br+, Cl+, F+, l+, bromonium, iodonium, or chloronium; and (ii) a source of fluoride. Uses of the process in the preparation of various fluorinated molecules as well as uses of certain compounds as intermediates in the processes of the present disclosure are also provided.

  公开号：

  WO2024028729A1

文献信息

• Visible-Light-Driven Iron-Promoted Thiocarboxylation of Styrenes and Acrylates with CO₂
  作者：Jian-Heng Ye、Meng Miao、He Huang、Si-Shun Yan、Zhu-Bao Yin、Wen-Jun Zhou、Da-Gang Yu

  DOI：10.1002/anie.201707862

  日期：2017.11.27

  nest: The first thiocarboxylation of styrenes and acrylates with CO2 to generate important β-thioacids was realized by using visible light as a driving force and catalytic iron salts as promoters. This multicomponent reaction features broad substrate scope, mild reaction conditions, and high regio-, chemo-, and diasteroselectivity. Mechanistic studies indicate that a radical pathway can account for the

  一个人飞过了COO  - COOH的巢穴：利用可见光作为驱动力，并用催化铁盐作为促进剂，实现了苯乙烯和丙烯酸酯与CO 2的第一次硫代羧化反应，生成重要的β-硫代酸。这种多组分反应具有广泛的底物范围，温和的反应条件以及高的区域选择性，化学选择性和非对映选择性。机理研究表明，自由基途径可以解释异常的区域选择性。
• [EN] FLUORINATION PROCESS<br/>[FR] PROCÉDÉ DE FLUORATION
  申请人：[en]ROYAL COLLEGE OF SURGEONS IN IRELAND

  公开号：WO2024028729A1

  公开（公告）日：2024-02-08

  The present disclosure relates to processes for the fluorination of molecules. One aspect provides a process for incorporating a fluorine atom into a molecule, said process comprising converting a compound of formula X—SG into a compound of formula X—F, wherein G is an optionally substituted C1-C6alkyl group, an optionally substituted aryl group, or an optionally substituted heteroaryl group, and X is an organic group; and wherein the SG group is attached to a secondary or tertiary carbon atom in the organic group X; said process comprising treating said compound of formula X—SG with (i) an activator compound selected from the group consisting of N-halosuccinimides, N-halobenzenesulfonimides, N-halobenzenesulfonamides, dialkylaminodihalosulfinium salts, heterocyclylaminodihalosulfinium salts, dialkylaminosulfur trihalides, XeF2, difluoroiodotoluene, di-and tri-bromoisocyanuric acids, bromine, chlorine, hypervalent iodine compounds with I2; and other sources of Br+, Cl+, F+, l+, bromonium, iodonium, or chloronium; and (ii) a source of fluoride. Uses of the process in the preparation of various fluorinated molecules as well as uses of certain compounds as intermediates in the processes of the present disclosure are also provided.