ethyl (propylthio)acetate | 89794-71-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl (propylthio)acetate
• 英文别名: Propylmercapto-essigsaeure-ethylester；propylsulfanyl-acetic acid ethyl ester；S-Propyl-thioglykolsaeure-aethylester；Propylmercapto-essigsaeure-aethylester；Ethyl 2-propylsulfanylacetate
• CAS: 89794-71-8
• 化学式: C₇H₁₄O₂S
• mdl: MFCD11174624
• 分子量: 162.253
• InChiKey: QIEBVFNXCYGWRC-UHFFFAOYSA-N

物化性质

• 沸点：
  96-98 °C(Press: 16 Torr)
• 密度：
  1.004±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl (propylthio)acetate 在 sodium hydroxide 作用下， 生成 (丙基硫代)乙酸
  参考文献：
  名称：

  Menon; Guha, Chemische Berichte, 1931, vol. 64, p. 544

  摘要：

  DOI：
• 作为产物：
  描述：

  重氮乙酸乙酯 、 丙烷-1-硫醇 在 甲基三氧化铼(VII) 作用下， 以 苯 为溶剂， 反应 72.0h， 以95%的产率得到ethyl (propylthio)acetate
  参考文献：
  名称：

  三氧化甲基铼催化的有机反应：重氮乙酸乙酯与有机叠氮化物的反应

  摘要：

  三氧化甲基铼（CH3ReO3 或 MTO）催化重氮乙酸乙酯 EDA 的几类反应。它是第一个用于卡宾转移的高价氧配合物。在温和的条件下，在没有其他底物的情况下，EDA 被转化为马来酸二乙酯和富马酸二乙酯的 9:1 混合物。在醇的存在下，以良好的收率获得了α-烷氧基乙酸乙酯。更大和更多支化醇的产率下降，材料的平衡是马来酸二乙酯和富马酸二乙酯。苯酚对位的给电子基团有利于α-苯氧基乙酸乙酯的形成。另一方面，使用 EDA 形成 α-硫代乙酸乙酯和 N-取代的甘氨酸乙酯几乎不受母体硫醇或胺的大小或结构的影响，所有这些反应都以高产率进行。MTO 催化的环加成反应发生在 EDA 和芳族亚胺、烯烃和羰基化合物之间。形成三元环产物：氮丙啶、环...

  DOI：

  10.1021/ja954039t

文献信息

• 4-Sulfenyl-2-carbamoyl-4-isoxazolin-3-ones: Biological Isostere to 4-Chloro-2-carbamoyl-4-isoxazolin-3-ones.
  作者：Noriaki KUDO、akamitsu YONEDA、Kazuo SATO、Toyokuni HONMA、Soji SUGAI

  DOI：10.1248/cpb.48.509

  日期：——

  4-Sulfenyl-2-carbamoyl-4-isoxazolin-3-ones (4) were designed on the basis of biological isosterism and prepared in four steps. Some of these compounds showed sufficient pre-emergent herbicidal activities against various kinds of weeds. Among the synthesized compounds, 2-(N-(4-chlorophenyl)-N-isopropylcarbamoyl)-4-ethyl-thio-5-methyl-4-isoxazolin-3-one (4cd) exhibited the most promising activity.

  根据生物异构原理设计了 4-亚磺酰基-2-氨基甲酰基-4-异噁唑啉-3-酮（4），并分四个步骤制备。其中一些化合物对多种杂草具有充分的萌前除草活性。在合成的化合物中，2-(N-(4-氯苯基)-N-异丙基氨基甲酰基)-4-乙硫基-5-甲基-4-异噁唑啉-3-酮（4cd）表现出最有前途的活性。
• Scope and Mechanism of Iridium Porphyrin-Catalyzed S–H Insertion Reactions between Thiols and Diazo Esters
  作者：Taiwo O. Dairo、L. Keith Woo

  DOI：10.1021/acs.organomet.6b00947

  日期：2017.2.27

  The insertion of carbenes derived from ethyl diazoacetate (EDA), methyl diazoacetate (MDA), methyl phenyldiazoacetate (MPDA), and methyl (p-tolyl)diazoacetate (MTDA) into the S-H bonds of aromatic and aliphatic thiols was catalyzed by (5,10,15,20-tetratolylporphyrinato)methyliridium (III), Ir(TTP)CH3, at ambient temperatures. Yields of the resulting thioether products were as high as 97% for aromatic thiols, with catalyst loadings as low as 0.07 mol %. Thiol binding to Ir(TTP)CH3 was measured at 23 degrees C by titration studies,, providing equilibrium constants, K-b, ranging from 4.25 X 10(2) to 1.69 X 105 and increasing in the order p-nitrobenzenethiol < p-chlorobenzenethiol < benzenethiol < p-methylbenzenethiol < p-methoxybenzenethiol < benzyl mercaptan. Hammett plots were generated from the relative rates of S-H insertion, using different para-substituted benzenethiols in substrate competition experiments. In the presence of MIA and MTDA, the Hammett plots had slopes of -0.12 +/- 0.01 and -0.78 +/- 0.11, respectively. The Hammett data and kinetic studies are consistent with a mechanism that involves a rate-limiting nudeophilic attack of thiols on an iridium-carbene species, where the major species present in the reaction solution is an inactive, hexacoordinate Ir-thiol complex.
• Reversible inhibitors of the gastric (H+/K+)-ATPase. 3. 3-Substituted-4-(phenylamino)quinolines
  作者：Robert J. Ife、Thomas H. Brown、David J. Keeling、Colin A. Leach、Malcolm L. Meeson、Michael E. Parsons、David R. Reavill、Colin J. Theobald、Kenneth J. Wiggall

  DOI：10.1021/jm00096a018

  日期：1992.9

  Previously, gastric (H+/K+)-ATPase inhibitors such as 2 have been prepared as analogues of 1a on the presumption that the 3-carbethoxy substituent plays a key role in establishing the orientation of the 4-arylamino group. In this paper we explore further the contribution made to activity by the quinoline 3-substituent. We show th bearing such a substituent, only a particular combination of properties provides high activity, both in as inhibitors of gastric acid secretion in vivo. The ability of the substituent to affect activity by restricting rotation about the C(quin)-N bond through a combination of both a pi-electron withdrawal and hydrogen bonding is supported by the current study. However, high activity is only achieved if the effect of this group on the quinoline pK(a) is kept to a minimum. 3-Acyl substituents provide an optimum combination of electronic properties. From this series, compound 17c (SK&F 96067) was shown to be a potent inhibitor of histamine-stimulated gastric acid secretion oral dosing in the Heidenhain pouch dog and was selected for further development and evaluation in man.
• Ueda, Nippon Kagaku Kaishi/Journal of the Chemical Society of Japan, 1929, vol. 50, p. 687
  作者：Ueda

  DOI：——

  日期：——
• BLUE CURABLE RESIN COMPOSITION, BLUE COLOR FILTER, AND DISPLAY DEVICE INCLUDING SAME
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20200371435A1

  公开（公告）日：2020-11-26

  To provide a blue curable resin composition relatively low in Bx and high in intensity in an xy chromaticity diagram of an XYZ color system, a color filter formed from the blue curable resin composition, and a display device including the color filter. A blue curable resin composition including a colorant (A), a resin (B), a polymerizable compound (C) and a polymerization initiator (D), wherein the colorant (A) includes two or more pigments each having a phthalocyanine backbone.