meta-chlorophenyl triflate | 52200-04-1

• 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: meta-chlorophenyl triflate
• 英文别名: 3-chlorophenyl methanesulfonate；(3-chlorophenyl) methanesulfonate
• CAS: 52200-04-1
• 化学式: C₇H₇ClO₃S
• mdl: MFCD15523331
• 分子量: 206.65
• InChiKey: OXMSYLUZIWAXHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 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：
  3

反应信息

• 作为反应物：
  描述：

  meta-chlorophenyl triflate 在 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 生成 3-chlorophenoxide
  参考文献：
  名称：

  Pitfalls in Assessing the α-Effect: Reactions of Substituted Phenyl Methanesulfonates with HOO⁻, OH⁻, and Substituted Phenoxides in H₂O

  摘要：

  Toward resolving the current controversy regarding the validity of the a-effect, we have examined the reactions of Y-substituted phenyl methanesulfonates 1a-11 with HOO-, OH,- and Z-substituted phenoxides in the gas phase versus solution (H2O). Criteria examined in this work are the following: (1) Bronsted-type and Hammett plots for reactions with HOO- and OH-, (2) comparison of beta(lg) values reported previously for the reactions of Y-substituted phenyl benzenesulfonates 2a-2k with HOO- (beta(lg) = -0.73) and OH- (beta(lg) = -0.55), and for those of 1a-11 with HOO- (beta(lg) = -0.69) and OH- (beta(lg) = -1.35), and (3) Bronsted-type plot showing extreme deviation of OH- for reactions of 2,4-dintrophenyl methanesulfonate la with aryloxides, HOO-, and OH-, signifying extreme solvation vs different mechanisms. The results reveal significant pitfalls in assessing the validity of current interpretations of the alpha-effect. The extreme negative deviation by OH- must be due, in part, to the difference in their reaction mechanisms. Thus, the apparent dependence of the alpha-effect on leaving-group basicity found in this study has no significant meaning due to the difference in operating mechanisms. The current results argue in favor of a further criterion, i.e., a consistency in mechanism for the alpha-nucleophiles and normal nucleophiles.

  DOI：

  10.1021/jo101978x
• 作为产物：
  描述：

  3-氯苯酚 、 甲基磺酰氯 在 吡啶 作用下， 生成 meta-chlorophenyl triflate
  参考文献：
  名称：

  On the mechanism of cleavage of aryl alkanesulfonates by electron donors

  摘要：

  DOI：

  10.1021/ja00425a022

文献信息

• [EN] HETEROCYCLIC COMPOUNDS WITH MICROBIOCIDAL PROPERTIES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES AYANT DES PROPRIÉTÉS MICROBIOCIDES
  申请人：PI INDUSTRIES LTD

  公开号：WO2018193387A1

  公开（公告）日：2018-10-25

  The present disclosure relates to a compound of Formula I, wherein the substituents T, A, W, R2, n, Z, G, Z1 and J are as defined in the description.

  本公开涉及一种具有式I的化合物，其中取代基T、A、W、R2、n、Z、G、Z1和J的定义如描述中所述。
• [EN] NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS D'IMIDAZOLYLMÉTHYLE À SUBSTITUTION EN POSITION 5
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2018060091A1

  公开（公告）日：2018-04-05

  The present invention relates to novel 5-substituted imidazolylmethyl derivatives, to processes for preparing these compounds, to compositions and mixtures comprising these compounds, and to the use thereof as biologically active compounds, especially for control of harmful microorganisms in crop protection and in the protection of materials and as plant growth regulators.

  本发明涉及新型5-取代咪唑甲基衍生物，涉及制备这些化合物的方法，涉及包含这些化合物的组合物和混合物，以及将其用作生物活性化合物的用途，特别是用于控制农作物保护中的有害微生物和材料保护中以及植物生长调节剂。
• A Simple Preparation of Aryl Methanesulfonates by Thermal Decomposition of Dry Arenediazonium o-Benzenedisulfonimides in Methanesulfonic Acid
  作者：Margherita Barbero、Iacopo Degani、Stefano Dughera、Rita Fochi、Paolo Perracino

  DOI：10.1055/s-1999-3696

  日期：1999.1

  Aryl methanesulfonates 3 (18 examples) were easily prepared by thermal decomposition of dry arenediazonium o-benzene-disulfonimides 1 in methanesulfonic acid (2). The reactions were carried out at temperatures between 60 and 120 °C for times between 0.5 and 8 h. The aryl methanesulfonates were obtained in reproducible yield of 70-90%, with few exceptions. In all cases the o-benzenedisulfonimide (4) could be recovered in good yields which can then be reused to prepare the salts 1. When thermal decomposition of salts 1 was carried out in trifluoromethanesulfonic acid (5) at 90-120 °C for 1-2 h, aryl trifluoromethanesulfonates 6 were obtained in 73-78% yield (3 examples).

  芳基甲磺酸酯3（共18个实例）通过在甲磺酸（2）中热分解干燥的芳烃重氮 o-苯并二磺酰亚胺（1）而容易制备。反应温度在60至120°C之间，时间在0.5至8小时之间。芳基甲磺酸酯的可重复产率为70-90%，偶有例外。在所有情况下，o-苯并二磺酰亚胺（4）均可在良好收率下回收，随后可再用于制备盐1。当在90-120°C下于三氟甲磺酸（5）中对盐1进行热分解1-2小时后，得到芳基三氟甲磺酸酯6，收率为73-78%（共3个实例）。
• 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。
• [EN] 1,5-SUBSTITUTED IMIDAZOLE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION.<br/>[FR] DÉRIVÉS D'IMIDAZOLE À SUBSTITUTION EN POSITION 1 ET 5 EN TANT QUE FONGICIDES POUR LA PROTECTION DES CULTURES AGRICOLES
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2018060093A1

  公开（公告）日：2018-04-05

  The present invention relates to 5-substituted imidazolylmethyl derivatives and related compounds, to processes for preparing these compounds, to compositions and mixtures comprising these compounds, and discloses the use thereof as biologically active compounds, especially for control of harmful microorganisms, such as e.g. phytopathogenic fungi, in crop protection and in the protection of materials and as plant growth regulators.

  本发明涉及5-取代咪唑甲基衍生物及相关化合物，涉及制备这些化合物的过程，涉及包含这些化合物的组合物和混合物，并披露其作为生物活性化合物的用途，特别是用于控制有害微生物（例如植物病原真菌）在作物保护和材料保护中以及作为植物生长调节剂。