S-[4-(氯甲酰基)苯基]硫代乙酸酯 | 129018-26-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: S-[4-(氯甲酰基)苯基]硫代乙酸酯
• 英文名称: 4-(acetylthio)benzoyl chloride
• 英文别名: thioacetic acid S-(4-chlorocarbonyl-phenyl) ester；S-[4-(Chlorocarbonyl)phenyl] ethanethioate；S-(4-carbonochloridoylphenyl) ethanethioate
• CAS: 129018-26-4
• 化学式: C₉H₇ClO₂S
• 分子量: 214.672
• InChiKey: LZIMZHBYBYQWJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  59.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-[4-(氯甲酰基)苯基]硫代乙酸酯 在 盐酸 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 11.0h， 生成 1,4,7-tris(4-mercaptobenzoyl)-1,4,7-triazacyclononane
  参考文献：
  名称：

  基于三氮杂环烷的三硫醇及其在制备位点分化的铁硫簇中的用途

  摘要：

  新的三脚架硫醇配体1,4,7-三（4-巯基苯甲酰基）-1,4,7-三氮杂环壬烷（H 3 L 1）和1,5,9-三（4-巯基苯甲酰基）-1,5,9 -三氮杂十二烷（H 3 L 2）已经被合成和表征。在具有铁-硫簇反应的[Fe 4小号4（SR）4 ] 2- （R =的Et或卜吨），子网站分化簇，例如的[Fe 4小号4（L 1）（设置）] 2-， 形成。证明了在分化的铁上的位点特异性反应。新型簇既可以在溶液中也可以作为分离的固体制备，并且主要通过1 H NMR和Mössbauer光谱进行表征。

  DOI：

  10.1039/dt9920003229
• 作为产物：
  描述：

  4-巯基苯甲酸 在 氢氧化钾 、 氯化亚砜 、 溶剂黄146 作用下， 反应 1.0h， 生成 S-[4-(氯甲酰基)苯基]硫代乙酸酯
  参考文献：
  名称：

  质子和氧化还原控制的在苯硫基取代的硼-二吡咯亚甲基染料中的光化学发光和电化学发光的转换。

  摘要：

  提出了一种发光分子开关，其中活性硫醇/二硫键开关元件连接到内苯基取代的硼二吡咯亚甲基（BDP）发色团作为信号单元。这两个功能单元的结合为发光的多峰转换提供了极大的通用性：1）巯基/硫醇盐部分的去质子化/质子化使得高荧光度的中-对-硫代苯酚-BDP及其非荧光硫醇盐类似物可以化学和可逆地相互转化， 2）单体染料的电化学氧化也可在完全可逆的过程中产生荧光二硫桥连的双发色二聚体，和3）除常规的光激发外，BDP的良好分离的氧化还原电势还允许通过电化学方式产生激发的BDP状态（ IE，可以使用过程1）和2）来控制BDP的光致发光和电化学发光（ECL）。本文介绍并描述了开关的各种状态，并讨论了其潜在机制。对二聚体的邻位类似物的研究提供了在这样的双发色体系中在基态和激发态下潜在的发色团-发色团相互作用的见解。两个二硫键二聚体的光学和氧化还原特性的比较进一步揭示了氧化还原开关和ECL活性分子集合的结构要求。

  DOI：

  10.1002/chem.200500729

文献信息

• 12-EPI PLEUROMUTILINS
  申请人：NABRIVA THERAPEUTICS AG

  公开号：US20160332963A1

  公开（公告）日：2016-11-17

  A compound selected from 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteoroaryl-, or aryl)-sulfanyl)-acetyl]-12-epi-mutilins, or 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteoroaryl-, or aryl)-oxy)-acetyl]-12-epi-mutilins, wherein 12-epi-mutilin is characterized in that the mutilin ring at position 12 is substituted by two substituents, the first substituent at position 12 of the mutilin ring is a methyl group which methyl group has the inverse stereochemistry compared with the stereochemistry of the methyl group at position 12 of the naturally occurring pleuromutilin ring, the second substituent at position 12 of the mutilin ring is a hydrocarbon group comprising at least one nitrogen atom and all other substituents of the mutilin ring having the same stereochemistry compared with the stereochemistry of the substituents at the corresponding positions in the naturally occurring pleuromutilin ring; optionally in the form of a salt and/or solvate, wherein the naturally occurring pleuromutilin is of formula processes for the preparation of such compounds and their use as pharmaceuticals.

  从14-O-[((烷基、环烷基、杂环烷基、杂环芳基或芳基)-硫基)-乙酰基]-12-epi-木替林，或14-O-[((烷基、环烷基、杂环烷基、杂环芳基或芳基)-氧基)-乙酰基]-12-epi-木替林中选择的一种化合物，其中12-epi-木替林的特征在于木替林环在位置12被两个取代基取代，木替林环在位置12的第一个取代基是一个甲基基团，该甲基基团的立体化学与天然存在的普鲁木替林环在位置12的甲基基团的立体化学相反，木替林环在位置12的第二个取代基是一个含有至少一个氮原子的碳氢基团，木替林环的所有其他取代基与天然存在的普鲁木替林环中相应位置的取代基的立体化学相同；可选地以盐和/或溶剂的形式存在，其中天然存在的普鲁木替林的化学式为 制备这类化合物的方法以及它们作为药物的用途。
• Synthesis of tetranuclear iron–sulphur protein analogues with tetrathiol ligands attached to macrocycles which provide intramolecular hydrophobic domains
  作者：Hiroaki (Yohmei) Okuno、Kouichi Uoto、Takenori Tomohiro、Marie-Thérèse Youinou

  DOI：10.1039/dt9900003375

  日期：——

  iron-sulphur proteins is introduced, where the active site core is surrounded by an intramolecular hydrophobic domain formed by a 36-membered ring consisting of a methylene backbone. An efficient synthesis of the macrocyclic ligands 1,10,19,28-tetra(4-mercaptobenzoyl)-1,10,19,28-tetra-azacyclohexatriacontane, 1,10,19,28-[4-(mercaptomethyl)benzoyl]-1,10,19,28-tetra-azacyclohexatriacontane and 1,10,19

  一种新型的4Fe–4S铁硫蛋白的活性位点类似物被引入，其中活性位点的核心被分子内的疏水域包围，该分子域由由亚甲基骨架组成的36元环形成。大环配体1,10,19,28-四（4-巯基苯甲酰基）-1,10,19,28-四氮杂环六三aco烷，1,10,19,28- [4-（巯基甲基）苯甲酰基]的有效合成描述了-1,10,19,28-四氮杂环六三aco烷和1,10,19,28-四-（3-巯基-3-甲基丁酰基）-1,10,19,28-四氮杂环六cyclo烷。他们与[Fe 4 S 4（SBu t）4 ] 2–的反应以mp> 300°C的黑色粉末的形式提供了具有良好收率（70–90％）的新型簇。它们溶于二甲基甲酰胺，二甲基亚砜和碳酸亚丙酯。Fe 4 S 4团簇的络合物形成主要通过紫外可见和nmr研究证明，并对新团簇的性质进行了讨论。
• [EN] 12-EPI-PLEUROMUTILINS<br/>[FR] 12-ÉPI-PLEUROMUTILINES
  申请人：NABRIVA THERAPEUTICS AG

  公开号：WO2015110481A8

  公开（公告）日：2016-03-03
• Self-Assembling Polycondensation for Preparation of Poly(<i>p</i>-oxybenzoyl-<i>a</i><i>lt</i>-<i>p</i>-mercaptobenzoyl) Whisker
  作者：Kazufumi Kobashi、Kunio Kimura、Yuhiko Yamashita、Tetsuya Uchida、Yoshimitsu Sakaguchi

  DOI：10.1021/ma030046n

  日期：2003.6.1

  Self-assembling polycondensation was examined to prepare the whisker of poly(p-oxybenzoyl-alt-p-mereaptobenzoyl). Polymerizations were carried out in liquid paraffin (LPF) and aromatic solvents such as Therm S 800 and 1000 at 300 degreesC for 6 h. Polymerization concentration was 1.0 wt/vol %. The whisker was not obtained by the random copolymerization of p-acetoxybenzoic acid and S-acetyl-4-mercaptobenzoic acid at the molar ratio of 0.5 in feed. However, the whiskers were successfully prepared by the polymerization of S-(4-acetoxybenzoyl)-4-mercaptobenzoic acid (OS) and 4-(S-acetyl-4-mercaptobenzoyl)oxybenzoic acid (SO). The whisker prepared from OS (POS) in LPF was 18 mum in average length and 0.4 mum in average width, and that from SO (PSO) was slightly longer than POS. The whiskers prepared in aromatic solvents were much longer than those in LPF, for which the length was 36-49 mum. These whiskers consist of the alternating polymer chains, and the polymer chains align along the long axis of the whisker. The sequence regularity enhanced the crystallizability of the oligomers, and this led to the formation of whiskers. The oligomer formation rate was much higher than that of transesterfication reaction rate, and this large difference in these two rates made the oligomer precipitate with maintaining the alternating sequence. Further polymerization occurred in the crystals, and the whiskers having the alternating sequence were finally completed. The difference in the two rates increased with the decrease of the miscibility between the oligomer and the solvent, and therefore, OS and LPF were more advantageous to maintain the alternating sequence.
• Cruciform π-Systems for Molecular Electronics Applications
  作者：Jennifer E. Klare、George S. Tulevski、Kenji Sugo、Anat de Picciotto、Kiley A. White、Colin Nuckolls

  DOI：10.1021/ja0350942

  日期：2003.5.1

  This study details a modular and general synthesis of a new class of molecules consisting of cruciform pi-systems. The key to synthesizing these molecules was an unprecedented double Staudinger cyclization. Once formed, these rigid compounds assemble into ordered monolayer films on metal and metal oxide surfaces to orient their conjugated, bis-phenyloxazole subunits upright. This surface orientation is enforced by the external phenyl substituents that are out of the ring plane, thus preventing the prone conformation.