对氟苯磺酸甲酯 | 565-45-7

• 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: 对氟苯磺酸甲酯
• 中文别名: 麦角柯宁碱
• 英文名称: methyl 4-fluorobenzenesulfonate
• 英文别名: Methyl 4-fluorobenzene-1-sulfonate
• CAS: 565-45-7
• 化学式: C₇H₇FO₃S
• 分子量: 190.195
• InChiKey: MBFSZLDWZHRFRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-氯-N-甲基苯胺 、 对氟苯磺酸甲酯 以 氘代甲醇 为溶剂， 生成 4-Fluoro-benzenesulfonic acid; compound with (3-chloro-phenyl)-dimethyl-amine
  参考文献：
  名称：

  α-Effect in Menschutkin alkylations

  摘要：

  The Menschutkin-type alkylation of substituted N-methylanilines with methyl arenesulfonates is compared to the same reaction with substituted N-phenylhydroxylamines. The alpha-effects are small but measurable. The Hammett rho parameters are not useful in this reaction series as an index of transition-state character. The use of beta1g(Me) parameters along with beta(nuc) values allows the transition states to be placed on the energy surface. The pattern is that the alpha-nucleophiles form tighter transition states than the normal nucleophiles. The size of the alpha-effect is related to the ionization potentials (IPs) computed by the AM1 Hamiltonian for a wide variety of reactions showing the alpha-effect. The larger alpha-effects depend more greatly on the IP.

  DOI：

  10.1021/jo00079a038
• 作为产物：
  描述：

  甲醇 、 对氟苯硫酚 在 氧气 、 10-甲基-9-均三甲苯基吖啶高氯酸盐 作用下， 反应 72.0h， 以45%的产率得到对氟苯磺酸甲酯
  参考文献：
  名称：

  用于 O-S 键形成的光诱导氧化交叉偶联：烷基苯磺酸盐的简便合成

  摘要：

  我们开发了苯硫酚与醇的光诱导氧化交叉偶联，用于形成 O-S 键。该协议使用可见光、无金属光催化剂和氧气作为氧化剂来选择性合成烷基苯磺酸盐；不需要配体共添加剂。机理研究表明，二硫化物和烷基苯亚磺酸盐作为中间体参与其中，并且转化通过自由基途径进行。

  DOI：

  10.1055/s-0036-1588728

文献信息

• [EN] TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES<br/>[FR] COMPOSÉS DE TÉTRAZOLINONE ET LEUR UTILISATION EN TANT QUE PESTICIDES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2013162072A1

  公开（公告）日：2013-10-31

  The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein R1 represents an C6-C16 aryl group, an C1-C12 alkyl group, or a C3-C12 cycloalkyl group, etc., which each optionally be substituted; R2, R3, R4 and R5 represent independently of each other a hydrogen atom, a halogen atom or an C1-C3 alkyl group, etc.; R6 represents an C1-C6 alkyl group, a C3-C6 cycloalkyl group, a halogen atom, a C1-C6 haloalkyl group, an C2-C6 alkenyl group, an C1-C6 alkoxy group, or a C1-C6 haloalkoxy group, etc.; R7, R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, or an C1-C4 alkyl group, etc.; X represents an oxygen atom or a sulfur atom; and R10 represents an C1-C6 alkyl group, etc.] shows an excellent controlling efficacy on pests.

  本发明提供了一种具有优异杀虫效果的化合物。公式（1）的四唑酮化合物：[其中R1代表C6-C16芳基、C1-C12烷基或C3-C12环烷基等，每个都可以选择性地被取代；R2、R3、R4和R5分别独立地代表氢原子、卤素原子或C1-C3烷基等；R6代表C1-C6烷基、C3-C6环烷基、卤素原子、C1-C6卤代烷基、C2-C6烯基、C1-C6烷氧基或C1-C6卤代烷氧基等；R7、R8和R9分别独立地代表氢原子、卤素原子或C1-C4烷基等；X代表氧原子或硫原子；R10代表C1-C6烷基等]在杀虫方面表现出优异的控制效果。
• [EN] SEMI-SYNTHETIC ANALOGUES OF EPIPOLYTHIODIOXOPIPERAZINE ALKALOIDS<br/>[FR] ANALOGUES SEMI-SYNTHÉTIQUES D'ALCALOÏDES D'ÉPIPOLYTHIODIOXOPIPÉRAZINE
  申请人：OHIO STATE INNOVATION FOUNDATION

  公开号：WO2020237169A1

  公开（公告）日：2020-11-26

  Disclosed herein are compounds, compositions, and methods for inhibiting a histone methyltransferase. The compounds are verticillin derivatives that exhibit anti-proliferative activity against cancer cells. The compounds, compositions, and methods can be used to treat a subject with cancer.

  本文披露了一种抑制组蛋白甲基转移酶的化合物、组合物和方法。这些化合物是垂青霉素衍生物，对癌细胞表现出抗增殖活性。这些化合物、组合物和方法可用于治疗患有癌症的受试者。
• Correlation of the rates of reaction of arenesulfonate ions with the trimethyloxonium ion in acetonitrile
  作者：Dennis N. Kevill、Gloria Meichia L. Lin、An Wang

  DOI：10.1016/s0040-4020(01)93682-8

  日期：1980.1

  The kinetics of the reactions between trimethyloxonium hexafluorophosphate and a series of tetra-n-butylammonium arenesulfonates have been studied in acetonitrile at −23.4°. With the oxonium salt concentration at about 0.01 M, two series of runs were carried out; Hammett plots of the second-order rate coefficients led to ϱ values of −1.18±0.04 for 0.04 M arenesulfonate salt and −1.07±0.02 for 0.16

  六氟磷酸三甲基氧鎓与一系列芳烃磺酸四正丁基铵酯的反应动力学已经在乙腈中于-23.4°进行了研究。在氧盐浓度约为0.01 M的情况下，进行了两个系列的实验；二阶速率系数的Hammett图导致ϱ值对于0.04 M的芳族磺酸盐为-1.18±0.04，对于0.16 M的芳族磺酸盐为-1.07±0.02。还报道了三甲基氧鎓离子在乙腈中的溶剂分解动力学。
• Perchlorate esters. Part 3. Correlation of the rates of reaction of arenesulphonate ions with methyl perchlorate in acetonitrile
  作者：Dennis N. Kevill、Gloria Meichia L. Lin、Mohd S. Bahari

  DOI：10.1039/p29810000049

  日期：——

  acetonitrile solutions of tetra-n-butylammonium benzenesulphonate and seven meta- and para-substituted derivatives with methyl perchlorate, at 0.3°, lead to a Hammett ρ value (–1.10 ± 0.04) essentially identical to those previously reported for reactions with other powerful methylating agents. When silver ion is substituted for tetra-n-butylammonium ion, the second-order rate coefficients become concentration

  四正丁基苯磺酸铵的乙腈溶液与七种间位和对位取代的衍生物与高氯酸甲酯在0.3°下反应的二阶速率系数导致哈米特ρ值（–1.10±0.04）基本上等于那些先前报道过与其他强力甲基化剂反应的化合物。当银离子代替四正丁基铵离子时，二级速率系数随浓度而变，并且仅基于游离阴离子的反应性，随盐浓度增加而引起的下降就可以合理化。所计算出的解离度的被施加到银甲苯的先前研究的银离子辅助反应p -磺酸盐用甲基碘。
• Copper(I)-catalyzed Diastereoselective Dearomative Carboborylation of Indoles
  作者：Keiichi Hayama、Koji Kubota、Hiroaki Iwamoto、Hajime Ito

  DOI：10.1246/cl.170825

  日期：2017.12.5

  heteroaromatic compounds has been achieved using copper(I) catalysis. This reaction includes the regioselective addition of a borylcopper(I) intermediate to indoles, followed by the diastereoselective methylation of the resulting copper(I) enolate intermediate to afford the corresponding 3-boryl-2-methylindolines bearing a quaternary stereogenic center with excellent regio- and diastereoselectivity.

  已经使用铜（I）催化实现了杂芳族化合物的第一个 C-B 键形成脱芳碳硼化。该反应包括硼基铜 (I) 中间体与吲哚的区域选择性加成，然后所得铜 (I) 烯醇中间体的非对映选择性甲基化，得到相应的 3-硼基-2-甲基二氢吲哚，其带有四元立体中心，具有优异的区域-和非对映选择性。