4-fluorophenyl 2-tolyl sulfide

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-fluorophenyl 2-tolyl sulfide
• 英文别名: (4-fluorophenyl)(o-tolyl)sulfide；1-Fluoro-4-(2-methylphenyl)sulfanylbenzene
• 化学式: C₁₃H₁₁FS
• 分子量: 218.295
• InChiKey: MVHHFGUPQJFFNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-氯-4-氟苯 、 2-巯基甲苯 在 [(C6H3(OP(i-Pr)2)2)RhHCl] 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 40.0h， 以80%的产率得到4-fluorophenyl 2-tolyl sulfide
  参考文献：
  名称：

  用于芳基卤化物与硫醇偶联的明确 (POCOP)Rh 催化剂

  摘要：

  本文描述了一种用于 CS 交叉偶联反应的明确定义的钳形 Rh 催化剂。(POCOP)Rh(H)(Cl) 作为一种活性预催化剂，用于在合理条件下（3% mol cat.，110 °C，2-24 h，>90%）将芳基氯化物和溴化物与芳基和烷基硫醇偶联屈服）。对于选择的底物，在催化剂负载量低至 0.1% 的情况下获得了 >90% 的产率。已分离并充分表征了关键的机械中间体，包括 (POCOP)Rh(Ph)(SPh) (6a) 和 (POCOP)Rh(SPh2) (6b)。与类似的二芳基氨基/双（膦）（PNP）Rh 钳系统相比，芳基/双（次膦酸盐）（POCOP）Rh 系统已被证明在升高的温度下和在某些情况下在室温下有利于芳基硫醇盐的还原消除。已经研究了在芳基溴和芳基氯陷阱存在下直接使用 6a 的协同还原消除。该研究表明，催化过程中芳基氯浓度存在明显的速率依赖性，而使用芳基溴时则不存在这种依赖性。邻

  DOI：

  10.1021/ja505576g

文献信息

• Takeuchi, Hiroshi; Suga, Keisuke, Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 9, p. 1803 - 1808
  作者：Takeuchi, Hiroshi、Suga, Keisuke

  DOI：——

  日期：——
• Room Temperature Rapid Functionalization of E–H Bonds (E = O, N, S) via the Metal–Ligand Cooperation Mechanism
  作者：Adam Scharf、Israel Goldberg、Arkadi Vigalok

  DOI：10.1021/ic402315a

  日期：2014.1.6

  An arylpalladium PNF-type pincer complex reacts with water and anilines under very mild conditions, providing access to new PNO- and PNN-pincer complexes with concomitant hydrogen transfer to the ligand core. Such a metal-ligand cooperation mode allows for the irreversible double activation of even highly sterically hindered aniline molecules. With thiols, the activation mode depends on the nature of the substituent at the sulfur atom, with thiophenols giving products of C-S elimination.
• COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS
  申请人：Katholieke Universiteit Leuven, K.U. Leuven R&D

  公开号：EP2513064A2

  公开（公告）日：2012-10-24
• COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS
  申请人：De Keersmaecker Sigrid

  公开号：US20130029981A1

  公开（公告）日：2013-01-31

  The invention relates to substituted 2-aminoimidazoles and their imidazo[1,2- a ]pyrimidinium salts precursors being active against biofilm formation. The invention also relates to imidazo[1,2- a ]pyrimidinium salts bearing an azidoalkyl substituent, and to substituted 2-aminoimidazoles wherein the amino group bears a terminal heterocyclic group such as a triazolyl group which are formed through azide-alkyne Huisgen cycloaddition starting from said imidazo[1,2- a ]pyrimidinium salts bearing an azidoalkyl substituent. The invention also relates to a class of N-(azidoalkyl)pyrimidin-2-amines useful as starting materials for the synthesis of said imidazo[1,2- a ]pyrimidinium salts bearing an azidoalkyl substituent. The invention also relates to antimicrobial compositions that include a microbial biofilm formation inhibiting amount of such substituted 2-aminoimidazoles or imidazo[1,2- a ]pyrimidinium salts in combination with excipients. Methods for inhibiting or controlling microbial biofilm formation in a plant, a body part of a human or an animal, or a surface with which a human or an animal may come into contact are also disclosed.
• US8906915B2
  申请人：——

  公开号：US8906915B2

  公开（公告）日：2014-12-09