diethyl methylthiomalonate | 80658-34-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: diethyl methylthiomalonate
• 英文别名: Ethyl 3-(ethylsulfanyl)-2-methyl-3-oxopropanoate；ethyl 3-ethylsulfanyl-2-methyl-3-oxopropanoate
• CAS: 80658-34-0
• 化学式: C₈H₁₄O₃S
• 分子量: 190.263
• InChiKey: SKMJZLZXWAAXCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  6
• 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

• 作为反应物：
  描述：

  diethyl methylthiomalonate 在 vitamin B12 、 potassium hydride 作用下， 生成
  参考文献：
  名称：

  First hydrogen abstraction-rearrangement model for the coenzyme B12-dependent methylmalonyl-CoA to succinyl-CoA carbon skeleton rearrangement reaction

  摘要：

  DOI：

  10.1021/ja00046a073
• 作为产物：
  描述：

  4-O,O-t-butyl 1-ethyl 2-<(ethylthio)carbonyl>monoperoxybutanedioate 以20%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。
• Use of malonic acid derivative compounds for retarding plant growth
  申请人：Rhone-Poulenc Inc.

  公开号：US05292937A1

  公开（公告）日：1994-03-08

  This invention relates to a method for retarding plant growth by applying to the plant an effective amount of a malonic acid derivative compound. This invention also relates to novel malonic acid derivative compounds and processes for the preparation thereof.

  这项发明涉及一种通过向植物施加丙二酸衍生物化合物的有效量来延缓植物生长的方法。该发明还涉及新颖的丙二酸衍生物化合物及其制备方法。
• Synergistic plant growth regulator compositions
  申请人：Rhone-Poulenc Nederland B.V.

  公开号：US05123951A1

  公开（公告）日：1992-06-23

  This invention relates to synergistic plant growth regulator compositions containing (1) an ethylene response or ethylene-type response inducing agent and (11) a malonic acid derivative compound. This invention also relates to the use of said compositions for inducing synergistic plant growth regulating responses or ethylene responses or ethylene-type responses.

  这项发明涉及含有（1）乙烯响应或类似乙烯响应诱导剂和（11）丙二酸衍生物化合物的协同植物生长调节剂组合物。该发明还涉及利用上述组合物诱导协同植物生长调节响应或乙烯响应或类似乙烯响应。
• Photolyses of organocobaloximes having aralkyl and (alkylthio)carbonyl groups on the .beta.-position. A radical reaction involving the thioester group
  作者：Masaru. Tada、Tatsuya. Nakamura、Mitsuhiro. Matsumoto

  DOI：10.1021/ja00222a025

  日期：1988.7

  Obtention de thioesters de derives de thietannones-2, de thietannecarboxylates-3 d'ethyle et d'alkyl-2 thiomalonates d'ethyle et S-alkyle

  获得硫代酯和衍生硫丹宁酮-2、去硫丹宁羧酸酯-3 d'乙基和 d'烷基-2 硫代丙二酸 d'乙基和 S-烷基
• A mutase mimic with cobalamin linked to cyclodextrin
  作者：Miroslav Rezac、Ronald Breslow

  DOI：10.1016/s0040-4039(97)01289-6

  日期：1997.8

  Cobalamin covalently tethered to beta-cyclodextrin was synthesized as a methylmalonyl-CoA mutase mimic. The artificial enzyme is capable of discriminating between two substrates containing different binding groups. (C) 1997 Elsevier Science Ltd.