3-ethoxy-2-ethoxycarbonyl-2-pentenoic acid, ethyl ester | 154229-52-4

• 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: 3-ethoxy-2-ethoxycarbonyl-2-pentenoic acid, ethyl ester
• 英文别名: ethyl 3-ethoxy-2-(ethoxycarbonyl)-2-pentenoate；diethyl 1-ethoxy-1-ethylmethylenemalonate；Diethyl 2-(1-ethoxypropylidene)malonate；diethyl 2-(1-ethoxypropylidene)propanedioate
• CAS: 154229-52-4
• 化学式: C₁₂H₂₀O₅
• 分子量: 244.288
• InChiKey: ZNEGCULZKZUYLK-UHFFFAOYSA-N

物化性质

• 沸点：
  298.4±30.0 °C(Predicted)
• 密度：
  1.047±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-ethoxy-2-ethoxycarbonyl-2-pentenoic acid, ethyl ester 在 lithium aluminium tetrahydride 、 氯化亚砜 、 盐酸羟胺 、 sodium methylate 、 potassium carbonate 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 8.0h， 生成 methyl 2-acetamido-2-(methoxycarbonyl)-3-(3-ethoxy-5-ethyl-4-isoxazolyl)propionate
  参考文献：
  名称：

  Design, synthesis and pharmacology of model compounds for indirect elucidation of the topography of AMPA receptor sites

  摘要：

  Based on structure-activity studies on excitatory amino acids with specific agonist effect at (RS)-2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)propionic acid (AMPA) receptors we have earlier proposed a simple model of the AMPA receptor pharamacophore. In order to judge the capacity of this empirical model we have now synthesized and tested 3 model compounds derived from the AMPA receptor agonists, AMPA and (RS)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid (7-HCPA). These model compounds, (RS)-2-amino-3-(5-ethyl-3-hydroxy-4-isoxazolyl)propionic acid (Et-AMPA), (RS)-2-amino-4-(3-hydroxy-5-methyl-4-isoxazolyl)butyric acid (Homo-AMPA) and (RS)-3-hydroxy-5,6,7,8-tetrahydro-4H-isoxazolo[5,4-c]azepine-8-carboxylic acid (Homo-7-HCPA) were tested electrophysiologically and in receptor binding assays. Et-AMPA was slightly more potent than AMPA as an AMPA agonist (EC50 = 2.3 muM compared to 3.5 muM for AMPA) and as a specific inhibitor of [H-3]AMPA binding (IC50 = 0.030 muM compared with 0.040 muM for AMPA), whereas Homo-AMPA was essentially inactive. Homo-7-HPCA was much weaker than 7-HPCA. These data support the view that the AMPA recognition site(s) comprise a confined region, which tightly binds the charged structure-elements of agonists molecules, and a cavity capable of accommodating bulky lipophilic groups in such compounds.

  DOI：

  10.1016/0223-5234(93)90114-t
• 作为产物：
  描述：

  原丙酸三乙酯 在 sodium ethanolate 作用下， 以 乙醇 、 水 为溶剂， 生成 3-ethoxy-2-ethoxycarbonyl-2-pentenoic acid, ethyl ester
  参考文献：
  名称：

  Thiouracil derivatives and metal surface-treating agent comprising

  摘要：

  一种硫尿嘧啶衍生物，由以下一般式（1）或（2）代表 ##STR1##（其中，R.sup.1和R.sup.2分别为氢原子或烷基，且R.sup.1和R.sup.2中至少一个为氢原子，R.sup.3为氢原子、烷基或苯基，R.sup.4为具有2至12个碳原子的二价饱和碳氢基团，Z为--COO--，CH.sub.2 O--或--C.sub.6 H.sub.4 --CH.sub.2 O--，R.sup.5为氢原子或甲基），以及一种金属表面处理剂，用于在高粘附强度、高耐水性和高耐久性下将金属，特别是贵金属与树脂或类似物粘接，其中包含上述硫尿嘧啶衍生物和有机溶剂，如丙酮或乙醇。

  公开号：

  US05795497A1

文献信息

• Improved Method for the Synthesis of 1,2,4-Triazolo[4,5-<i>a</i>]pyrimidin-5-ones
  作者：George Bratulescu

  DOI：10.1055/s-2005-872179

  日期：——

  Five new 1,2,4-triazolo[4,5-a]pyrimidin-5-ones were synthesised in good yield in a paste-like medium using microwave irradiation.

  利用微波辐照技术，在糊状介质中合成了五种新的 1,2,4- 三唑并[4,5-a]嘧啶-5-酮，收率良好。
• Adhesive
  申请人：TOKUYAMA CORPORATION

  公开号：EP0896043A1

  公开（公告）日：1999-02-10

  The present invention relates to an adhesive having high adhesiveness to a metal, especially a noble metal and a noble metal alloy. This adhesive comprises a thiouracil derivative typified by 6-methacryloyloxyhexyl 2-thiouracil-5-carboxylate, a radical-polymerizable monomer such as 2,2-bis(4-(methacryloxyethoxy)phenyl)propane, and a polymerization initiator, and as required, a filler.

  本发明涉及一种对金属，特别是贵金属和贵金属合金具有高粘合性的粘合剂。这种粘合剂由硫脲嘧啶衍生物（2-硫脲嘧啶-5-羧酸 6-甲基丙烯酰氧基己基酯）、可自由基聚合的单体（如 2,2-双(4-(甲基丙烯酰氧基乙氧基)苯基)丙烷）、聚合引发剂以及所需的填料组成。
• Novel thiouracil derivatives and metal surface-treating agent comprising thereof
  申请人：TOKUYAMA CORPORATION

  公开号：EP0802194B1

  公开（公告）日：2002-06-19
• Al-Ayed, Abdullah Soliman; Khalfallah, Ali; Kaddachi, Mohamed Tahar, Revue Roumaine de Chimie, 2012, vol. 57, # 11, p. 901 - 906
  作者：Al-Ayed, Abdullah Soliman、Khalfallah, Ali、Kaddachi, Mohamed Tahar

  DOI：——

  日期：——
• Doria; Passarotti; Sala, Farmaco, Edizione Scientifica, 1985, vol. 40, # 11, p. 808 - 817
  作者：Doria、Passarotti、Sala、Magrini、Sberze、Tibolla、Buttinoni、Ferrari、Tremolada

  DOI：——

  日期：——