n-Butyl-thionacetat | 55613-69-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: n-Butyl-thionacetat
• 英文别名: O-butyl ethanethioate
• CAS: 55613-69-9
• 化学式: C₆H₁₂OS
• 分子量: 132.227
• InChiKey: APKWSIDBPAILFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  41.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  n-butyl acetimidate hydrochloride 在 硫化氢 作用下， 以 吡啶 为溶剂， 生成 n-Butyl-thionacetat
  参考文献：
  名称：

  某些伯硫代和仲硫代乙酸酯的气相热解

  摘要：

  亚烷基硫代乙酸酯通过均相的单分子机理进行热消除，得到烯烃和硫代乙酸作为第一产物。对于伯酯，伴随着重排成硫羟乙酸酯。对于消除反应，提出了一种类似于乙酸盐热解的过渡态，但据认为在亚硫酸酯情况下它更像产物。

  DOI：

  10.1039/p29750000317

文献信息

• Bio-intermediates for use in the chemical synthesis of polyketides
  申请人：——

  公开号：US20040018598A1

  公开（公告）日：2004-01-29

  The present invention relates to compounds made by a subset of modules from one or more polyketide synthase (“PKS”) genes that are used as starting material in the chemical synthesis of novel molecules, particularly naturally occurring polyketides or derivatives thereof. The biologically derived intermediates (“bio-intermediates”) generally represent particularly difficult compounds to synthesize using traditional chemical approaches due to one or more stereocenters. In one aspect of the invention, an intermediate in the synthesis of epothilone is provided that feeds into the synthetic protocol of Danishefsky and co-workers. In another aspect of the invention, intermediates in the synthesis of discodermolide are provided that feed into the synthetic protocol of Smith and co-workers. By taking advantage of the inherent stereochemical specificity of biological processes, the syntheses of key intermediates and thus the overall syntheses of compounds like epothilone and discodermolide are greatly simplified.

  本发明涉及由一个或多个聚酮合酶合成酶（“PKS”）基因的子模块制备的化合物，这些化合物作为起始物质用于化学合成新颖分子，特别是天然存在的聚酮类化合物或其衍生物。生物衍生的中间体（“生物中间体”）通常代表着尤其难以使用传统化学方法合成的化合物，因为其中一个或多个立体中心。在本发明的一个方面，提供了用于累积素合成的中间体，该中间体进入Danishefsky及其同事的合成方案。在本发明的另一个方面，提供了用于二十碳二烯酮合成的中间体，这些中间体进入Smith及其同事的合成方案。通过利用生物过程固有的立体化学特异性，关键中间体的合成以及诸如累积素和二十碳二烯酮等化合物的整体合成大大简化了。
• [EN] METHOD FOR THE MANUFACTURE OF ALKOXYSILYL-CONTAINING THIOCARBOXYLIC ACID ESTERS<br/>[FR] PROCÉDÉ DE FABRICATION D'ESTERS D'ACIDE THIOCARBOXYLIQUE CONTENANT DE L'ALKOXYSILYLE
  申请人：MOMENTIVE PERFORMANCE MAT INC

  公开号：WO2020223068A1

  公开（公告）日：2020-11-05

  There is provided herein a method for the manufacture of alkoxysilyl-containing thiocarboxylic acid ester which comprises reacting a thioester with a mercapto-functional alkoxy silane and/or an alkali metal salt, an alkaline earth metal salt, a trisubstituted ammonium salt of an alkoxysilyl-functional thiolate which uses economical and readily available reagents, avoids the use of phosgene or thionyl chloride reagents and produces byproducts that may be recycled.

  本文提供了一种制备含烷氧硅基硫代羧酸酯的方法，包括将硫酯与巯基功能烷氧硅烷和/或碱金属盐、碱土金属盐、烷氧硅基硫醇酸三取代铵盐反应，使用经济实惠且易得的试剂，避免使用光气或氯化硫酰试剂，并产生可循环利用的副产物。
• [EN] CONTINUOUS PROCESS FOR THE PREPARATION OF THIOCARBOXYLATE SILANE<br/>[FR] PROCÉDÉ CONTINU DE PRÉPARATION DE THIOCARBOXYLATE SILANE
  申请人：MOMENTIVE PERFORMANCE MAT INC

  公开号：WO2015006423A1

  公开（公告）日：2015-01-15

  The invention is directed to a process for the preparation of thiocarboxylate silane comprising reacting an aqueous solution of a salt of a thiocarboxylic acid with a haloalkylalkoxysilane in the presence of a solid supported catalyst. The invention is also directed to a process for the preparation of an aqueous solution of a salt of a thiocarboxylic acid which comprises reacting an aqueous solution of a sulfide and/or hydrosulfide with a carboxylic acid halide and/or acid anhydride.

  这项发明涉及一种制备硫代羧酸硅烷的方法，包括在固体支撑的催化剂存在下，将硫代羧酸盐的水溶液与卤代烷基烷氧基硅烷反应。该发明还涉及一种制备硫代羧酸盐的水溶液的方法，包括将硫化物和/或氢硫化物的水溶液与羧酸卤和/或酸酐反应。
• Method for the manufacture of alkoxysilyl-containing thiocarboxylic acid esters
  申请人：Momentive Performance Materials Inc.

  公开号：US10919920B2

  公开（公告）日：2021-02-16

  There is provided herein a method for the manufacture of alkoxysilyl-containing thiocarboxylic acid ester which comprises reacting a thioester with a mercapto-functional alkoxysilane and/or an alkali metal salt, an alkaline earth metal salt, a trisubstituted ammonium salt of an alkoxysilyl-functional thiolate which uses economical and readily available reagents, avoids the use of phosgene or thionyl chloride reagents and produces byproducts that may be recycled.

  本文提供了一种制造含烷氧基硅烷的硫代羧酸酯的方法，该方法包括使硫代酯与巯基官能团烷氧基硅烷和/或碱金属盐、碱土金属盐、烷氧基硅烷官能团硫酸酯的三取代铵盐反应，该方法使用经济且易于获得的试剂，避免使用光气或亚硫酰氯试剂，且产生的副产品可回收利用。
• BIO-INTERMEDIATES FOR USE IN THE CHEMICAL SYNTHESIS OF POLYKETIDES
  申请人：Kosan Biosciences, Inc.

  公开号：EP1307579A2

  公开（公告）日：2003-05-07