2,3,4-trichlorophenylmethylsulfone

• 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: 2,3,4-trichlorophenylmethylsulfone
• 英文别名: 1,2,3-trichloro-4-methylsulfonylbenzene
• 化学式: C₇H₅Cl₃O₂S
• 分子量: 259.541
• InChiKey: ZHIGBPAVOIPDJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  三氯苯 在 氯化亚砜 、 甲烷磺酸 、 三氟甲磺酸 作用下， 以 二氯甲烷 为溶剂， 生成 2,3,4-trichlorophenylmethylsulfone
  参考文献：
  名称：

  Process for preparing 2-chloro-3-alkoxy-4-alkylsulfonyl-benzoic acids and esters

  摘要：

  1-卤代-2-氯-3-烷氧基-4-烷基磺酰基苯和1-卤代-2,3-二氯-4-烷基磺酰基苯化合物被转化为具有羟基羰基或烷氧羰基取代基的化合物，通过在钯II盐：三烷基膦配合物型催化剂存在下，分别与一氧化碳和水或醇反应。

  公开号：

  US06211403B1

文献信息

• Process for preparing
  申请人：Dow AgroSciences LLC

  公开号：US06015911A1

  公开（公告）日：2000-01-18

  Herbicidal 1-alkyl-4-(2-chloro-3-alkoxy-4-alkylsulfonylbenzoyl)-5-hydroxypyrazole compounds, as well as 1-halo-2-chloro-3-alkoxy-4-alkylsulfonylbenzene compounds and 2-chloro-3-alkoxy-4-alkylsulfonylbenzoic acid compounds, were prepared in good yield by the reaction of the corresponding 3-chloro compound with an alkali metal alkoxide compound. 1-Halo-2-chloro-3-alkoxy-4-alkylsulfonylbenzene and 1-halo-2,3-dichloro-4-alkylsulfonylbenzene compounds were converted to compounds having hydroxycarbonyl, alkoxycarbonyl, or 1-alkyl-5-hydroxypyrazole-4-carbonyl substituents in place of the 1-halo substituent by reaction with carbon monoxide and water, an alcohol, or a 1-alkyl-5-hydroxypyrazole compound, respectively, in the presence of a palladium II salt:trihydrocarbylphosphine complex type catalyst.

  除草剂1-烷基-4-(2-氯-3-烷氧基-4-烷基磺酰基苯甲酰)-5-羟基吡唑化合物，以及1-卤代-2-氯-3-烷氧基-4-烷基磺酰基苯化合物和2-氯-3-烷氧基-4-烷基磺酰基苯甲酸化合物，通过将相应的3-氯化合物与碱金属烷氧化合物反应，以较高产率制备。1-卤代-2-氯-3-烷氧基-4-烷基磺酰基苯和1-卤代-2,3-二氯-4-烷基磺酰基苯化合物可通过与一氧化碳和水、醇或1-烷基-5-羟基吡唑化合物反应，在钯II盐：三烷基膦配合物型催化剂存在下，转化为具有羟基羰基、烷氧羰基或1-烷基-5-羟基吡唑-4-羰基取代基的化合物，代替1-卤代取代基。
• An alternative synthesis of chlorinated biphenyl methylsulfonyl metabolites
  作者：Richard D. Mortimer、W.Harvey Newsome

  DOI：10.1016/0045-6535(95)00331-2

  日期：1996.3

  Published methods of synthesizing chlorinated biphenyl methylsulfones require the separation of a complex mixture of impurities and isomers using both normal and reverse phase HPLC. Even with semi-preparative scale equipment, the process is tedious and time-consuming. In this report, the palladium-catalyzed addition of an aryl iodide to an aryl trimethylstannane has been exploited to produce these compounds in high purity (greater than or equal to 99%) using conventional techniques of purification. The reaction has been demonstrated for a group of methylsulfonyl CBs representing 0 to 3 ortho-chlorine interactions between the biphenyl rings and with the methylsulfonyl group at either the 3- or 4-position.
• CNS-PENETRANT NK-1 RECEPTOR ANTAGONISTS AS ANTIDEPRESSANT AND/OR AN ANTI-ANXIETY AGENT
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP0929303A2

  公开（公告）日：1999-07-21
• PROCESS FOR PREPARING 1-ALKYL-4- (2-CHLORO-3-ALKOXY-4-ALKYLSULFONYLBENZOYL) -5-HYDROXYPYRAZOLE AND RELATED COMPOUNDS
  申请人：Dow AgroSciences LLC

  公开号：EP0928288A1

  公开（公告）日：1999-07-14
• US6015911A
  申请人：——

  公开号：US6015911A

  公开（公告）日：2000-01-18