2-fluorophenyl methanesulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-fluorophenyl methanesulfonate
• 英文别名: 4-methylphenyl methanesulfonate；(2-fluorophenyl) methanesulfonate
• 化学式: C₇H₇FO₃S
• mdl: MFCD16036340
• 分子量: 190.195
• InChiKey: ODLAMBUWMTXDRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 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：

  2-fluorophenyl methanesulfonate 在 氟化锆 、 potassium phosphate tribasic hydrate 、 Ni^IICl(1-naphthyl)(tricyclohexylphosphine)₂ 、 cesium fluoride 、 三环己基膦 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 17.0h， 生成 4-methyl-o-terphenyl
  参考文献：
  名称：

  无限稳定的σ-NiII空气稳定催化剂，用于未反应的芳基卤化物和甲磺酸酯与芳基新戊基乙二醇硼酸酯的定量交叉偶联

  摘要：

  摘要 基于π-Ni系三类镍预催化剂的II，π-Ni系0和σ-Ni系II络合物已经阐述和在用于官能化和以其他方式交叉偶联惰性的芳基C-O，C-CL不同的实验室使用，并且C–F亲电试剂。在各个研究小组中开发的各种Ni预催化剂，配体，硼源和反应条件，必须为所需的交叉偶联伙伴选择最合适的条件。在这里，一种通用的，稳定的，易于制备的Ni II Cl（1-萘基）（PCy 3）2 / PCy 3σ-络合物，用于将芳基氯，溴化物，碘化物，甲磺酸盐和氟化物与芳基新戊二醇硼酸酯有效和定量地交叉偶联。该预催化剂将最有可能帮助推进Ni催化在有机，超分子和大分子合成中的应用，并将为各种转化的反应条件选择提供更容易的途径。 基于π-Ni系三类镍预催化剂的II，π-Ni系0和σ-Ni系II络合物已经阐述和在用于官能化和以其他方式交叉偶联惰性的芳基C-O，C-CL不同的实验室使用，并且C–F亲电试剂。在各个研究小组中开发

  DOI：

  10.1055/s-0035-1562342
• 作为产物：
  描述：

  2-氟苯酚 、 甲基磺酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 以82%的产率得到2-fluorophenyl methanesulfonate
  参考文献：
  名称：

  Neopentylglycolborylation of Aryl Mesylates and Tosylates Catalyzed by Ni-Based Mixed-Ligand Systems Activated with Zn

  摘要：

  The mixed-ligand system NiCl2(dppp)/dppf is shown to be an effective catalyst for the neopentylglycolborylation of ortho-, meta-, and para- substituted electron-rich and electron-deficient aryl mesylates and tosylates. The addition of Zn powder as a reductant dramatically increases the reaction yield and reduces the reaction time by more than an order of magnitude, providing complete conversion in 1-3 h

  DOI：

  10.1021/ja910808x

文献信息

• [EN] HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES
  申请人：CADILA HEALTHCARE LTD

  公开号：WO2013054351A1

  公开（公告）日：2013-04-18

  The present invention relates to novel pyrimidine class of compounds, their pharmaceutically acceptable salts, and pharmaceutically acceptable compositions containing them and their use in medicine.

  本发明涉及新型嘧啶类化合物，其药用盐和药用组合物，以及包含它们的药用用途。
• On the intermediacy of phenyl hydrogen sulfates in the sulfonation of phenols. Sulfonation of phenol, anisole, methyl phenyl sulfate, the 2-halogenophenols, a series of phenyl methanesulfonates together with 2,6-dimethylaniline and its N-methylsulfonyl de
  作者：Peter de Wit、Alex F. Woldhuis、Hans Cerfontain

  DOI：10.1002/recl.19881071204

  日期：——

  The sulfonation of methyl phenyl sulfate (4) with concentrated aqueous sulfuric acid at 25°C yields the 4-sulfonic acid. This initial product then decomposes to give phenol-4-sulfonic acid, which is subsequently sulfonated to phenol-2,4-disulfonic acid. From the first-order-rate coefficients obtained for sulfonation of phenyl methanesulfonate (3) and (4) in 93.2% H2SO4, for which acid concentration

  在25℃下用浓硫酸水溶液磺化甲基苯基硫酸酯（4），得到4-磺酸。然后该初始产物分解得到苯酚-4-磺酸，随后将其磺化为苯酚-2,4-二磺酸。从在93.2％H 2 SO 4中将甲磺酸苯基酯（3）和（4）磺化所获得的一级系数，对于磺酸浓度为H 2 S 2 O 7的酸浓度，其σp +值OSO 2 Me和OSO 2已确定OMe取代基分别为0.40和0.46。2-氯苯基（10）和2-甲基苯基甲磺酸盐（14）在2.0 °C下在硝基甲烷中用2.0当量的SO 3磺化产生4-磺酸作为排他的产物，而2-甲氧基苯基甲烷磺酸盐（13），在相同条件下，仅形成5-磺酸。
• PHENYL SULFONATE COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION USING THE SAME, AND LITHIUM BATTERY
  申请人：Abe Koji

  公开号：US20100291437A1

  公开（公告）日：2010-11-18

  Provided are (1) a novel phenyl sulfonate compound, (2) a nonaqueous electrolytic solution comprising an electrolyte salt dissolved in a nonaqueous solvent and containing a phenyl sulfonate compound of the following general formula (II) in an amount of from 0.01 to 10% by mass of the nonaqueous electrolytic solution, and (3) a lithium battery containing the nonaqueous electrolytic solution and excellent in low-temperature cycle property. (wherein X 1 to X 5 each independently represents a fluorine atom or a hydrogen atom, and from one to four of these are fluorine atoms; R 2 represents a linear or branched alkyl group having from 1 to 6 carbon atoms, a linear or branched alkyl group having from 1 to 6 carbon atoms in which at least one hydrogen atom is substituted with a halogen atom, or an aryl group having from 6 to 9 carbon atoms).

  提供了以下内容：(1)一种新的苯磺酸酯化合物，(2)一种非水电解质溶液，包括在非水溶剂中溶解的电解质盐，并且含有以下通式(II)的苯磺酸酯化合物，其在非水电解质溶液中的质量分数为0.01%至10%，(3)一种含有非水电解质溶液的锂电池，其低温循环性能优异。(其中，X1至X5各自独立地表示氟原子或氢原子，其中从一个到四个是氟原子；R2表示具有1到6个碳原子的线性或支链烷基，具有1到6个碳原子的线性或支链烷基，其中至少有一个氢原子被卤素原子取代，或具有6到9个碳原子的芳基基团)。
• NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME
  申请人：UBE INDUSTRIES LTD.

  公开号：US20160126593A1

  公开（公告）日：2016-05-05

  Provided are (1) a nonaqueous electrolytic solution having an electrolyte salt dissolved in a nonaqueous solvent, the nonaqueous electrolytic solution containing a biphenyl group-containing carbonate compound represented by the following general formula (I), (2) an energy storage device using the same, and (3) a biphenyl group-containing carbonate compound used for the same. This nonaqueous electrolytic solution is capable of improving electrochemical characteristics in a broad temperature range, especially at high temperatures, and further reducing a rate of increase in electrode thickness after high-temperature cycles. In the formula, R 1 represents an alkyl group having 1 to 12 carbon atoms, an alkenyl group having 2 to 6 carbon atoms, an alkynyl group having 3 to 6 carbon atoms, or an aryl group having 6 to 20 carbon atoms; and each of X 1 to X 4 independently represents a hydrogen atom, a phenyl group, or a benzyl group.

  提供了以下内容：（1）一种非水电解质溶液，其中电解质盐溶解在非水溶剂中，该非水电解质溶液包含下列通式（I）所代表的含有联苯基碳酸酯化合物，（2）使用该溶液的储能装置，以及（3）用于该装置的含有联苯基碳酸酯化合物。该非水电解质溶液能够在广泛的温度范围内，特别是在高温下，改善电化学特性，并进一步减少高温循环后电极厚度增加的速率。 在公式中，R1代表具有1至12个碳原子的烷基、具有2至6个碳原子的烯基、具有3至6个碳原子的炔基或具有6至20个碳原子的芳基；每个X1至X4独立地表示氢原子、苯基或苄基。
• Nonaqueous electrolyte solution, electricity storage device using same, and phosphonoformic acid compound used in same
  申请人：UBE INDUSTRIES, LTD.

  公开号：US10374256B2

  公开（公告）日：2019-08-06

  The present invention provides a nonaqueous electrolytic solution capable of suppressing worsening of heat stability of a negative electrode and improving safety of an energy storage device while maintaining high-load charging and discharging cycle properties at a high temperature, an energy storage device using the same, and a phosphonoformic acid compound to be used for the same. The nonaqueous electrolytic solution having an electrolyte salt dissolved in a nonaqueous solvent contains 0.001 to 5% by mass of at least one selected from a phosphonoformic acid compound having at least one carbon-carbon unsaturated bond, which is represented by the following general formula (I), and a phosphonoformic acid compound having a carbon-carbon unsaturated bond or two phosphonocarbonyl groups, which is represented by the following general formula (II). In the formula (I), each of R1 to R3 is an aliphatic organic group, provided that at least one of R1 to R3 represents a carbon-carbon unsaturated bond-containing aliphatic organic group. In the formula (II), each of R4 and R5 represents an alkyl group, a cycloalkyl group, or an aryl group, and R4 and R5 may be bonded to each other to form a ring structure. m represents 1 or 2; when m is 1, then R6 represents an aryl group; when m is 2, then R6 represents an alkylene group, an alkenylene group, or an alkynylene group; and a part of hydrogen atoms of R4 to R6 may be substituted with a halogen atom.

  本发明提供了一种在高温下保持高负荷充放电循环特性的同时，能够抑制负极热稳定性恶化并提高储能装置安全性的非水性电解溶液、使用该溶液的储能装置以及用于该溶液的膦甲酸化合物。具有溶解在非水溶剂中的电解质盐的非水电解溶液含有 0.001%至 5%（以质量计）的至少一种选自具有至少一个碳碳不饱和键的膦甲酸化合物（由以下通式 (I) 表示）和具有一个碳碳不饱和键或两个膦酰基的膦甲酸化合物（由以下通式 (II) 表示）。 在式 (I) 中，R1 至 R3 中的每一个都是脂肪族有机基团，条件是 R1 至 R3 中至少有一个代表含碳碳不饱和键的脂肪族有机基团。 在式 (II) 中，R4 和 R5 各自代表烷基、环烷基或芳基，且 R4 和 R5 可相互键合以形成环状结构。m 代表 1 或 2；当 m 为 1 时，则 R6 代表芳基；当 m 为 2 时，则 R6 代表亚烷基、亚烯基或亚炔基；且 R4 至 R6 的部分氢原子可被卤原子取代。