methyl 3-chlorobenzenesulfonate | 53186-82-6

• 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: methyl 3-chlorobenzenesulfonate
• CAS: 53186-82-6
• 化学式: C₇H₇ClO₃S
• 分子量: 206.65
• InChiKey: WHSKOPGECNOMGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 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：
  3

反应信息

• 作为反应物：
  描述：

  methylsulphonyl(phenylsulphonyl)methane 、 methyl 3-chlorobenzenesulfonate 在 potassium tert-butylate 作用下， 以 二甲基亚砜 、 叔丁醇 为溶剂， 以94%的产率得到1-benzenesulfonyl-1-methanesulfonyl-ethane
  参考文献：
  名称：

  分子内反应。第12部分。环的大小和离去基团对碳负离子分子间和分子内亲核取代的影响

  摘要：

  在芳基ω-卤代烷基酮与碱环合成芳基环烷基酮的过程中，环丙烷的形成速度比环戊烷快23 000倍。氢-氘交换实验和三元环形成的极低的溴化氯化物比率（1.9）与确定酮的去质子速率的反应是一致的。相比之下，在五元环形成中，与羰基相邻的氢-氘交换发生的速度比环化快得多，并且氯-溴化物的比率在“ 99”处为“正常”。在由芳基磺酰基丙基芳烃磺酸酯形成芳基磺酰基环丙烷时，Hammettρ值表示离去基团为+1.7，而对于双磺酰基稳定的碳负离子的分子间取代为+1.2。试图获得ρ LG竞争的分子间反应使五元环形成的值受挫。在先前关于通过分子内亲核取代形成环的工作的背景下讨论了该结果。

  DOI：

  10.1039/p29820000579
• 作为产物：
  描述：

  3-氯-苯磺酸 在 tetrabutylammonium tetrafluoroborate 、 三乙胺 、 N,N'-羰基二咪唑 作用下， 以 乙腈 为溶剂， 反应 16.5h， 生成 methyl 3-chlorobenzenesulfonate
  参考文献：
  名称：

  磺酰肼电化学合成亚磺酸酯和磺酸酯

  摘要：

  开发了一种由磺酰肼合成亚磺酸酯和磺酸酯的电化学合成方法。在DMF溶剂中，5 mA恒电流下，用原甲酸三烷基酯处理磺酰肼，然后优化反应条件，合成烷基亚磺酸酯。相反，当反应在烷基醇溶剂中以15mA的恒定电流进行时，仅获得烷基磺酸酯。各种取代的芳基磺酰肼提供了中等至良好产率的所需亚磺酸酯和磺酸酯。机理研究表明，磺酰基自由基是通过电化学氧化形成的，并且它们与烷基自由基或烷氧基自由基反应生成各自的酯产物。

  DOI：

  10.1039/d4ob00215f

文献信息

• METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND
  申请人：Oda Seiji

  公开号：US20110275859A1

  公开（公告）日：2011-11-10

  A method for manufacturing a conjugated aromatic compound comprising reacting an aromatic compound (A) wherein one or two leaving groups selected from the group consisting of an iodine atom, a bromine atom and a chlorine atom are bonded to an aromatic ring and the aromatic compound (A) does not have (c1) a group represented by the following formula (10): wherein A 1 represents a C1-C20 alkoxy group etc.; (g1) a C1-C20 alkyl group which may be substituted with a fluorine atom etc.; and (h1) a C2-C20 acyl group which may be substituted with a fluorine atom etc., at the neighboring carbon atom to the carbon atom to which the leaving group is bonded, with an aromatic compound (A) having the same structure as that of the above-mentioned aromatic compound (A) or an aromatic compound (B) wherein the aromatic compound (B) is structurally different from the above-mentioned aromatic compound (A), one or two leaving groups selected from the group consisting of an iodine atom, a bromine atom and a chlorine atom are bonded to an aromatic ring and the aromatic compound (B) does not have the above-mentioned (c1), (g1) and (h1) at the neighboring carbon atom to the carbon atom to which the leaving group is bonded, in the presence of (i) a nickel compound, (ii) a metal reducing agent, (iii) at least one ligand (L1) selected from the group consisting of a 2,2′-bipyridine compound having at least one electron-withdrawing group and having no substituent at 3-, 6-, 3′- and 6′-positions, and a 1,10-phenanthroline compound having at least one electron-withdrawing group and having no substituent at 2- and 9-positions, and (iv) at least one ligand (L2) selected from the group consisting of a 2,2′-bipyridine compound having at least one electron-releasing group and having no substituent at 3-, 6-, 3′- and 6′-positions, and a 1,10-phenanthroline compound having at least one electron-releasing group and having no substituent at 2- and 9-positions.

  一种制备共轭芳香化合物的方法，包括将含有一个或两个离去基团的芳香化合物（A）与含有相同结构的上述芳香化合物（A）或结构不同的芳香化合物（B）反应，其中这些离去基团选自碘原子、溴原子和氯原子，与芳香环结合，而芳香化合物（A）没有以下式（10）所代表的基团：其中A1代表C1-C20烷氧基等；（g1）代表C1-C20烷基基团，可能被氟原子等取代；以及（h1）代表C2-C20酰基基团，可能被氟原子等取代，与离去基团结合的碳原子的相邻碳原子处没有上述（c1）、（g1）和（h1），在（i）镍化合物、（ii）金属还原剂、（iii）从2,2′-联吡啶化合物和1,10-邻菲啰啉化合物中选择的至少一种配体（L1），具有至少一个吸电子基团且在3-、6-、3′-和6′-位置没有取代基，以及（iv）从2,2′-联吡啶化合物和1,10-邻菲啰啉化合物中选择的至少一种配体（L2），具有至少一个释电子基团且在3-、6-、3′-和6′-位置没有取代基团的情况下，在上述离去基团结合的碳原子的相邻碳原子处进行反应。
• Nitrogen-containing heterocyclic compound
  申请人：Murakata Chikara

  公开号：US20090054407A1

  公开（公告）日：2009-02-26

  The present invention provides a nitrogen-containing heterocyclic compound represented by formula (I): wherein W represents a nitrogen atom or —CH—; X represents —C(═O)— or —CHR 4 — (wherein R 4 represents a hydrogen atom, or the like); R 1 represents a group represented by the following formula: [wherein Q 1 represents a nitrogen atom or —CR 8 — (wherein R 8 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like). Q 2 represents —NR 15 — (wherein R 15 represents a hydrogen atom, or the like) and R 5 and R 6 may be the same or different and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like]; and R 2 and R 3 may be the same or different and each represents a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, or the like} or a pharmaceutically acceptable salt thereof, and the like.

  本发明提供了一种含氮杂环化合物，其由式(I)表示：其中W代表氮原子或—CH—；X代表—C(═O)—或—CHR4—（其中R4代表氢原子或类似物）；R1代表由以下式表示的基团：[其中Q1代表氮原子或—CR8—（其中R8代表氢原子、取代或未取代的低级烷基或类似物）。Q2代表—NR15—（其中R15代表氢原子或类似物），R5和R6可以相同也可以不同，每个代表氢原子、取代或未取代的低级烷基或类似物]；R2和R3可以相同也可以不同，每个代表氢原子、卤素、取代或未取代的低级烷基或类似物}或其药学上可接受的盐等。
• BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX
  申请人：Asaumi Taku

  公开号：US20100184978A1

  公开（公告）日：2010-07-22

  A bipyridine compound represented by the formula (1): wherein R 1 , R 2 and R 3 each independently represent a C1-C10 alkyl group which may be substituted etc., and R 4 , R 5 , R 6 , R 7 and R 8 each independently represent a hydrogen atom etc., a transition metal complex obtained by contacting a bipyridine compound represented by the formula (1) with a compound of a transition metal belonging to Group 9, 10 or 11, and a method for production of a conjugated aromatic compound comprising reacting an aromatic compound (A) wherein one or two leaving groups are bonded to an aromatic ring with an aromatic compound (A) having the same structure as that of the above-mentioned aromatic compound (A) or an aromatic compound (B) being structurally different from the above-mentioned aromatic compound (A) and having one or two leaving groups bonded to an aromatic ring, in the presence of the transition metal complex.

  一种以式(1)表示的联吡啶化合物：其中R1、R2和R3各自独立地表示可以被取代的C1-C10烷基等，而R4、R5、R6、R7和R8各自独立地表示氢原子等，通过将式(1)表示的联吡啶化合物与属于9、10或11族过渡金属的化合物接触而获得的过渡金属配合物，以及一种制备共轭芳香化合物的方法，包括在过渡金属配合物的存在下，将一个或两个离去基团与芳环结合的芳香化合物（A）与具有与上述芳香化合物（A）相同结构的芳香化合物（A）或结构不同于上述芳香化合物（A）且具有一个或两个离去基团与芳环结合的芳香化合物（B）反应。
• TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX
  申请人：Asaumi Taku

  公开号：US20110046336A1

  公开（公告）日：2011-02-24

  A transition metal complex obtained by contacting a bipyridine compound represented by the formula (1): wherein R 1 , R 2 and R 3 represent a C1-C10 alkyl group which may be substituted, etc., and R 4 and R 5 represent a hydrogen atom etc., with a compound of a transition metal belonging to Group 9, 10 or 11, and a process for producing a conjugated aromatic compound comprising reacting an aromatic compound (A) wherein one or two leaving groups are bonded to an aromatic ring with an aromatic compound (A) having the same structure as that of the above-mentioned aromatic compound (A) or an aromatic compound (B) being structurally different from the above-mentioned aromatic compound (A) and having one or two leaving groups bonded to an aromatic ring, in the presence of said transition metal complex.

  通过将式（1）所表示的联吡啶化合物与属于9、10或11族的过渡金属化合物接触而获得的过渡金属配合物，其中R1、R2和R3代表C1-C10烷基，可以被取代等，而R4和R5代表氢原子等。制备共轭芳香化合物的方法包括，在所述过渡金属配合物的存在下，将一个芳香化合物（A），其中一个或两个离去基团与芳香环相键合，与具有与上述芳香化合物（A）相同结构的芳香化合物（A）或在结构上不同于上述芳香化合物（A）并且具有一个或两个离去基团与芳香环相键合的芳香化合物（B）反应。
• TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150051171A1

  公开（公告）日：2015-02-19

  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的杀虫功效的化合物。公式（1）的四唑烷酮化合物：[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分别独立地表示氢原子、卤素原子或C1-C3烷基等；R6表示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独立地表示氢原子、卤素原子或C1-C4烷基等；X表示氧原子或硫原子；R10表示C1-C6烷基等]对害虫具有优异的控制功效。