Thioacetic acid S-[1,3]dioxolan-2-ylmethyl ester | 95966-70-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧戊环
• 英文名称: Thioacetic acid S-[1,3]dioxolan-2-ylmethyl ester
• 英文别名: (1,3-Dioxacyclopent-2-yl)methyl Thioacetate；S-(1,3-dioxolan-2-ylmethyl)thioacetate；S-(1,3-dioxolan-2-ylmethyl) ethanethioate
• CAS: 95966-70-4
• 化学式: C₆H₁₀O₃S
• 分子量: 162.21
• InChiKey: KMDLRMZVTWCNED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  60.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Thioacetic acid S-[1,3]dioxolan-2-ylmethyl ester 在 sodium hydroxide 作用下， 以 丙酮 为溶剂， 生成 [1,3]Dioxolan-2-yl-methanethiol
  参考文献：
  名称：

  A general and mild synthesis of thioesters and thiols from halides

  摘要：

  The conversion of a wide variety of halides to thioesters by reaction with potassium thiocetate under mild conditions is described, and the generality of the method is demonstrated. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02545-3
• 作为产物：
  描述：

  2-溴甲基-1,3-二氧戊烷 、 potassium thioacetate 以 N,N-二甲基甲酰胺 为溶剂， 反应 67.0h， 以77%的产率得到Thioacetic acid S-[1,3]dioxolan-2-ylmethyl ester
  参考文献：
  名称：

  A general and mild synthesis of thioesters and thiols from halides

  摘要：

  The conversion of a wide variety of halides to thioesters by reaction with potassium thiocetate under mild conditions is described, and the generality of the method is demonstrated. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02545-3

文献信息

• [EN] HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST<br/>[FR] COMPOSÉS ORGANOSOUFRÉS CONTENANT DE L'HALOGÈNE ET LEUR UTILISATION POUR LUTTER CONTRE LES ARTHROPODES NUISIBLES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2010074327A1

  公开（公告）日：2010-07-01

  There is provided a halogen-containing organosulfur compound having a controlling effect on arthropod pests represented by the formula (I): wherein m represents 0, 1 or 2; n represents 0, 1 or 2; A represents an optionally substituted 3- to 8-membered saturated heterocyclic group; Q represents a fluorine atom or a C1-C5 haloalkyl group having at least one fluorine atom; R1, R1a and R3 independently represent an optionally halogenated C1-C4 chain hydrocarbon group, etc.; R2, R2a and R4 independently represent an optionally halogenated C1-C4 chain hydrocarbon group, etc.

  提供一种含卤有机硫化合物，其具有对由式（I）表示的节肢动物害虫的控制作用：其中m表示0、1或2；n表示0、1或2；A代表可选取代的3-至8-成员饱和杂环基团；Q代表至少有一个氟原子的氟原子或C1-C5卤代烷基基团；R1、R1a和R3独立地表示可选卤代的C1-C4链烃基团等；R2、R2a和R4独立地表示可选卤代的C1-C4链烃基团等。
• 2-Dioxacycloalkylthiopenem derivatives
  申请人：PFIZER INC.

  公开号：EP0138538A1

  公开（公告）日：1985-04-24

  Certain 2-dioxacycloalkylthio-2-penem-3-carboxylic acid compounds are useful as antibacterials for treating mammal and have the formula or a pharmaceutically acceptable salt thereof, wherein: Ris A is carbonyl, methylene or thiocarbonyl; B is alkylene having 2-5 carbon atoms; alk is alkylene having 1-6 carbon atoms; R1 is hydrogen or a group which results in an ester which is hydrolyzable in vivo; and n is zero or one.

  某些 2-二氧杂环烷基硫基-2-青霉烯-3-羧酸化合物可用作治疗哺乳动物的抗菌剂，其分子式为 或其药学上可接受的盐，其中式中 A 是羰基、亚甲基或硫代羰基； B 是具有 2-5 个碳原子的亚烷基 烷基是具有 1-6 个碳原子的亚烷基； R1 是氢或可形成在体内可水解的酯的基团；以及 n 是 0 或 1。
• Poly(benzodithiophenes)
  申请人：Merck Patent GmbH

  公开号：EP1524286B1

  公开（公告）日：2009-12-16
• HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2376450A1

  公开（公告）日：2011-10-19
• HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF
  申请人：Mitsudera Hiromasa

  公开号：US20110257226A1

  公开（公告）日：2011-10-20

  There is provided a halogen-containing organosulfur compound having a controlling effect on arthropod pests represented by the formula (I): wherein m represents 0, 1 or 2; n represents 0, 1 or 2; A represents an optionally substituted 3- to 8-membered saturated heterocyclic group; Q represents a fluorine atom or a C1-C5 haloalkyl group having at least one fluorine atom; R 1 , R 1a and R 3 independently represent an optionally halogenated C1-C4 chain hydrocarbon group, etc.; R 2 , R 2a and R 4 independently represent an optionally halogenated C1-C4 chain hydrocarbon group, etc.