ethyl 3-<(ethylthio)carbonyl>propionate | 89317-76-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 3-<(ethylthio)carbonyl>propionate
• 英文别名: Ethyl 4-(ethylsulfanyl)-4-oxobutanoate；ethyl 4-ethylsulfanyl-4-oxobutanoate
• CAS: 89317-76-0
• 化学式: C₈H₁₄O₃S
• 分子量: 190.263
• InChiKey: NPHUEOMSCDSENA-UHFFFAOYSA-N

物化性质

• 沸点：
  57 °C(Press: 0.05 Torr)
• 密度：
  1.086±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 2-(t-butylperoxycarbonyl)-3-<(ethylthio)carbonyl>propionate 以55%的产率得到
  参考文献：
  名称：

  AEBERHARD, U.;KEESE, R.;STAMM, E.;VOEGELI, U. -C.;LAU, W.;KOCHI, J. K., HELV. CHIM. ACTA, 1983, 66, N 8, 2740-2759

  摘要：

  DOI：

文献信息

• Structure and Chemistry of Malonylmethyl- and Succinyl-Radicals. The search for homolytic 1,2-rearrangements
  作者：Urs Aeberhard、Reinhart Keese、Erich Stamm、Ulrich-Christian Vögeli、Willy Lau、Jay Kazuo Kochi

  DOI：10.1002/hlca.19830660843

  日期：1983.12.14

  Malonylmethyl radical I [· CH2CH(COOEt)2] and its thioester analogue II [· CH2CH(COOEt) (COSEt)] were generated by standard photolytic and thermolytic methods from perester and bromo precursors. The structures of I and II were examined by ESR spectroscopy and found to exist in preferred conformations. However, no indication for their rearrangement by 1,2-shift of either an ethoxycarboxyl or (ethylthio)carbonyl

  丙二酰基甲基基团I [·CH 2 CH（COOEt）2 ]及其硫代酯类似物II [·CH 2 CH（COOEt）（COSEt）]是通过标准的光解法和热解法从过酸酯和溴代前体生成的。通过ESR光谱检查了I和II的结构，发现它们以优选的构象存在。然而，没有迹象表明它们通过乙氧基羧基或（乙硫基）羰基的1，2-转移到相应的琥珀酰基基团III和IV而重排。分别在低于-40°C的温度下发现。在高达140°C的较高温度下，通过对过酸酯分解进行彻底的产物分析，研究了丙二酰甲基琥珀酰重排的过程。有证据表明，在130°C的氯苯中，通过光解作用将I - III自由基重排，通过在130°C下热解将II - IV自由基重排。
• SYSTEM FOR PROTECTING GOODS DURING TRANSPORT
  申请人：Stutz Susanne

  公开号：US20120328685A1

  公开（公告）日：2012-12-27

  A system for protecting stored goods in a container ( 10 ), comprises a cage-like structure ( 20 ) formed by at least one pesticide treated net ( 22 ), capable of enclosing the stored goods, wherein the cage like structure ( 20 ), further comprises means for suspending the pesticide treated nets ( 14, 28, 30, 32, 34 ), and means for opening and closing the cage-like structure ( 26 ) on at least one section ( 24 ) of the at least one net ( 22 ). The system is particularly useful for the transport of tobacco, coffee, dried fruits, cocoa, nuts, tea, cereals, vegetables, spices and animals.

  一个用于保护集装箱（10）中存放货物的系统，包括由至少一种经过杀虫剂处理的网（22）形成的类似笼子的结构（20），能够围住存放的货物，其中类似笼子的结构（20）进一步包括用于悬挂经过杀虫剂处理的网（14、28、30、32、34）的手段，以及用于在至少一种网（22）的至少一部分（24）上打开和关闭类似笼子结构（26）的手段。该系统特别适用于烟草、咖啡、干果、可可、坚果、茶叶、谷物、蔬菜、香料和动物的运输。
• Controlled release aquatic biologically active agent formulations
  申请人：THE STOLLE RESEARCH AND DEVELOPMENT CORPORATION

  公开号：EP0126827A1

  公开（公告）日：1984-12-05

  A controlled release, biologically active agent containing composition for use in an aquatic environment, comprising strands of polymeric fiber containing a biologically effective amount of a biologically active agent which is effective for the treatment of plants in an aquatic environment.

  一种用于水生环境的含有生物活性剂的控释组合物，由含有生物有效量生物活性剂的聚合纤维股组成，可有效处理水生环境中的植物。
• Crosslinked, porous polymers for controlled delivery of agricultural ingredients
  申请人：CIBA-GEIGY AG

  公开号：EP0190996A2

  公开（公告）日：1986-08-13

  A controlled-release, delivery composition which comprises (A) a crosslinked copolymer, capable of swelling in ethanol to give a swollen copolymer containing at least 40% by weight of ethanol, and capable of swelling in water to give a swollen copolymer containing no more than 20% by weight of water, where the swelling ratio (% ethanol: % water) is 2:1 to 22:1, which comprises the copolymerization product of (a) 50 to 99 % by weight of said copolymer of a water-insoluble monoolefinic monomer or (a) with 0 to 45 % weight of total monomers of a water-soluble monoolefinic monomer, with (b) 50 to 1 % by weight, but not more than 20 mol % of a divinyl or polyvinyl crosslinking agent; and (B) an effective amount of an active agricultural ingredient is useful for the controlled and prolonged release of said ingredient.

  一种控释给药组合物，它包括(A)一种交联共聚物，该共聚物能在乙醇中溶胀，得到含乙醇至少 40%（重量）的溶胀共聚物，并能在水中溶胀，得到含水不超过 20%（重量）的溶胀共聚物，其中溶胀比（乙醇百分比：水百分比）为 2:1 至 22:1：(A)50-99%（重量百分比）的水不溶性单烯烃单体或(a)0-45%（重量百分比）的水溶性单烯烃单体与(b)50-1%（重量百分比）但不超过 20 摩尔%的二乙烯基或聚乙烯交联剂的共聚产物；以及(B)有效量的农业活性成分，有助于控制和延长所述成分的释放。
• Heteroatom containing perfluoroalkyl terminated neopentyl mercapto-alcohols and compositions therefrom
  申请人：CIBA-GEIGY AG

  公开号：EP0501915A1

  公开（公告）日：1992-09-02

  Heteroatom containing perfluoroalkyl terminated neopentyl mercapto-alcohols of the formulas I and II         HS-(CH₂C(CH₂X-E-Rf)₂CH₂]-OH   (I)         HS-(CH₂C(CH₂X₁-Rf)₂CH₂]-OH   (II) are prepared from the corresponding perfluorinated neopentyl oxetanes where Rf is a straight or branched chain perfluoroalkyl of 1 to 18 carbon atoms or said perfluoroalkyl substituted by perfluoroalkoxy of 2 to 6 carbon atoms, E is a linking group, and X and X₁ are heteroatom moieties. The reaction products of these fluorinated mercapto-alcohols with electrophiles are disclosed as are certain functional derivatives. Compositions containing such materials provide improved thermal stability and useful low surface energy oil and water repellent coatings for textiles, glass, paper, leather, and other materials.

  式 I 和 II 的含全氟烷基端新戊基巯基醇异构体 HS-(CH₂C(CH₂X-E-Rf)₂CH₂]-OH (I) HS-(CH₂C(CH₂X₁-Rf)₂CH₂]-OH (II) 由相应的全氟新戊基氧杂环丁烷制备而成，其中 Rf 是 1 至 18 个碳原子的直链或支链全氟烷基或被 2 至 6 个碳原子的全氟烷氧基取代的全氟烷基，E 是连接基团，X 和 X₁ 是杂原子分子。 这些氟化巯基乙醇与亲电物的反应产物以及某些官能衍生物均已公开。含有此类材料的组合物具有更好的热稳定性，可为纺织品、玻璃、纸张、皮革和其他材料提供有用的低表面能拒油拒水涂层。