3-(ethylthio)propanoyl chloride | 5944-02-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 3-(ethylthio)propanoyl chloride
• 英文别名: β-ethylthiopropionyl chloride；3-(ethylthio)propionyl chloride；3-ethylthiopropionyl chloride；3-ethylsulfanyl-propionyl chloride；MeCH2SCH2CH2C(O)Cl；EtSCH2CH2C(O)Cl；3-ethylsulfanylpropanoyl chloride
• CAS: 5944-02-5
• 化学式: C₅H₉ClOS
• 分子量: 152.645
• InChiKey: UAPUUNSUMRICST-UHFFFAOYSA-N

物化性质

• 沸点：
  80-81 °C
• 密度：
  1.1675 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(ethylthio)propanoyl chloride 在 zinc(II) fluoride 作用下， 以64%的产率得到3-(ethylthio)propionyl fluoride
  参考文献：
  名称：

  Reaction of β-alkylthiopropionyl tetrafluoroborates with alkenes

  摘要：

  The reaction of beta-alkylthiopropionyl tetrafluoroborates with alkenes results in formation of 6-membered cyclic sulfonium salts. Succeeding cleavage of sulfonium salts by bases affords the corresponding 5-alkythiopent-1-en-3-ones.

  DOI：

  10.1016/0040-4039(95)01220-c
• 作为产物：
  描述：

  3-(乙基硫代)丙酸 在 草酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 3-(ethylthio)propanoyl chloride
  参考文献：
  名称：

  关于鲜味的研究。新型鸟苷5'-磷酸衍生物的合成及其与谷氨酸钠的协同作用。

  摘要：

  已经合成了许多鸟苷5'-磷酸（GMP）的N2-烷基和N2-酰基衍生物，并测试了它们与L-谷氨酸钠（MSG）的协同作用，MSG是为咸味食品赋予鲜味的原型物质。通过主观比较水中的MSG /核苷酸混合物与单独的MSG溶液，可以估计增强MSG味觉强度（伽马值）的能力。假定β＝γ[核苷酸] /γ[IMP]，发现N 2-取代的GMP的β值在1.2-5.7的范围内。这样的值似乎与嘌呤核的2-位上的取代基的链长有关，并且取决于用S原子和/或用α-CO基团取代CH 2基团。这些发现表明鸟嘌呤部分的环外NHR基团积极地参与了GMP衍生物和MSG之间的协同作用。理论计算表明，核糖核苷酸分子与鲜味受体相互作用可能推测为反构象。

  DOI：

  10.1021/jf072803c

文献信息

• Substituted dibenzoxazepine compounds, pharmaceutical compositions and
  申请人：G. D. Searle & Co.

  公开号：US05212169A1

  公开（公告）日：1993-05-18

  The present invention provides substituted dibenzoxazepine compounds of Formula I: ##STR1## which are useful as analgesic agents for the treatment of pain, pharmaceutical compositions comprising a therapeutically-effective amount of a compound of Formula I in combination with a pharmaceutically-acceptable carrier, and a method for eliminating or ameliorating pain in an animal comprising administering a therapeutically-effective amount of a compound of Formula I to the animal.

  本发明提供了一种具有以下结构的取代二苯并噁唑酚化合物，该化合物对于治疗疼痛具有用途：##STR1## 这些化合物可作为镇痛剂用于治疗疼痛，所述药物组合物包括在与药学上可接受的载体结合的化合物I的治疗有效量，以及一种用于消除或减轻动物疼痛的方法，包括向动物施用化合物I的治疗有效量。
• Electrocardiographic criteria for predicting total occlusion of the proximal left anterior descending coronary artery in anterior wall acute myocardial infarction
  作者：Masami Kosuge、Kazuo Kimura、Toshiyuki Ishikawa、Tsutomu Endo、Tomohiko Shigemasa、Mitsugi Sugiyama、Osamu Tochikubo、Satoshi Umemura

  DOI：10.1002/clc.4960240106

  日期：2001.1

  with occlusion of the left anterior descending coronary artery (LAD) proximal to both the first septal branch and the first diagonal branch may benefit most from early reperfusion therapy due to extensive area at risk. HYPOTHESIS The aim of the study was to examine whether 12-lead electrocardiograms (ECGs) in the acute phase of acute myocardial infarction (AMI) could identify total occlusion of the

  背景技术由于第一瓣间隔和第一对角分支的近端左冠状动脉前降支（LAD）均被阻塞的患者，由于存在较大的风险区域，可能会从早期再灌注治疗中受益最多。假设这项研究的目的是检查急性心肌梗塞（AMI）急性期的12导联心电图（ECG）是否可以识别第一中隔和第一对角分支附近的LAD完全闭塞。方法在症状发作后12小时内，对128例前AMI患者入院时记录12导联心电图。根据罪魁祸首将患者分为三组：33例在第一中间隔穿支线和第一对角分支附近均发生了LAD完全闭塞（P组），在51中，它靠近第一中隔穿孔器或第一对角分支（Da组），在44中，它既在第一中隔穿孔器又在第一对角分支（Db组）远端。结果Ⅲ型铅的ST段压低程度大于aVL型铅的ST段抬高的敏感性和特异性分别为85％和95％，比所有其他ECG标准得出的结果更好（p <0.001 ）。结论我们得出结论，对于前AMI患者，III型铅中ST段压低程度大于aVL型铅中S
• Process for preparing sulfonyl acids
  申请人：MONSANTO COMPANY

  公开号：EP0480900A2

  公开（公告）日：1992-04-15

  There is disclosed a process for preparing sulfonyl acids from mercaptans in a single reactor. The mercaptan is converted to a mercaptide and reacted with an acrylic acid or salt thereof in a basic reaction medium. After formation of the thioether, the reaction medium is treated with chlorine gas to oxidize the thioether to the sulfone. Mild conditions and readily available starting materials render the method capable of preparing such acids efficiently in large scale amounts.

  本发明公开了一种在单个反应器中用硫醇制备磺酸的工艺。硫醇转化为硫醚，并在碱性反应介质中与丙烯酸或其盐反应。形成硫醚后，用氯气处理反应介质，将硫醚氧化成砜。该方法条件温和，起始原料容易获得，因此能够高效地大量制备此类酸。
• SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ANALGESIC AGENTS AND PROSTAGLANDIN ANTAGONISTS
  申请人：G.D. Searle & Co.

  公开号：EP0539977A1

  公开（公告）日：1993-05-05

  The present invention provides substituted dibenzoxazepine compounds of Formula I: which are useful as analgesic agents for the treatment of pain, pharmaceutical compositions comprising a therapeutically-effective amount of a compound of Formula I in combination with a pharmaceutically-acceptable carrier, and a method for eliminating or ameliorating pain in an animal comprising administering a therapeutically-effective amount of a compound of Formula I to the animal.

  本发明提供了式 I 的取代二苯并氧氮杂卓化合物： 可用作治疗疼痛的镇痛剂；包含治疗有效量的式 I 化合物与药学上可接受的载体的药物组合物；以及消除或改善动物疼痛的方法，该方法包括对动物施用治疗有效量的式 I 化合物。
• Synthesis, spectral characterization, electrochemical properties and antimicrobial screening of sulfur containing acylferrocenes
  作者：Danijela Ilić、Ivan Damljanović、Dragana Stevanović、Mirjana Vukićević、Niko Radulović、Volker Kahlenberg、Gerhard Laus、Rastko D. Vukićević

  DOI：10.1016/j.poly.2010.03.002

  日期：2010.5

  Several known and eight new sulfur containing acylferrocenes of the general formula FcCO(CH2)(n)SR (where Fc = ferrocenyl, n = 1 or 2 and R = alkyl, 4-bromobenzyl or 2,6-dichlorobenzyl group) were synthesized in order to test their in vitro antimicrobial activity against 11 bacterial and three fungal/yeast strains. It has been shown that only four of the 14 ketones are completely inactive at the tested dose, while the activities of the other ones were noteworthy. All new compounds were well characterized by IR and NMR spectral data, and their electrochemical properties were investigated by cyclic voltammetry. The X-ray crystal structures of two representative ketones are also presented. (C) 2010 Elsevier Ltd. All rights reserved.