ethanoylsuccinic acid ethyl ester | 42161-03-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: ethanoylsuccinic acid ethyl ester
• 英文别名: 3-(Ethoxycarbonyl)-4-oxopentanoic acid；3-ethoxycarbonyl-4-oxopentanoic acid
• CAS: 42161-03-5
• 化学式: C₈H₁₂O₅
• mdl: MFCD20641658
• 分子量: 188.18
• InChiKey: IEMQIKPUEXYLRF-UHFFFAOYSA-N

物化性质

• 沸点：
  150 °C(Press: 25 Torr)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethanoylsuccinic acid ethyl ester 在 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 以50%的产率得到(3-Methyl-5-oxo-4,5-dihydro-isoxazol-4-yl)-acetic acid methyl ester
  参考文献：
  名称：

  Reaction of dimethyl acetylenedicarboxylate with 3,4-disubstituted isoxazolin-5-ones. A new synthesis of 1,3-oxazin-6-ones and 2,3-dihydro-1,3-oxazin-6-ones

  摘要：

  DOI：

  10.1021/jo00385a004
• 作为产物：
  描述：

  1-tert-butyl 4-ethyl 2-acetyl-succinate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 ethanoylsuccinic acid ethyl ester
  参考文献：
  名称：

  解偶联的丁内酰胺的“在水上”催化对映选择性亚磺酰基化

  摘要：

  已使用二聚体金鸡纳生物碱作为催化剂在富水反应介质中开发了首个共轭丁内酰胺的催化对映选择性α-亚磺酰基。带有四级立体异构中心的高度取代且致密官能化的γ-内酰胺的生成量高达99.5 ：0.5 er。还描述了相同的催化剂体系对解偶联的丁内酰胺的对映选择性α-硒基化和正式的乙烯基γ-羟基化的适用性。

  DOI：

  10.1039/c7ob01714f

文献信息

• Synthesis of 3-Ethoxycarbonyl-3-buten-4-olides and 3-Ethoxycarbonyl-4-butanolides
  作者：Françoise Gaudemar-Bardone、Margarita Mladenova、RENÉ Couffignal

  DOI：10.1055/s-1985-31423

  日期：——

  This paper describes a synthesis of 3-acyl-2-alkyl-3-ethoxycarbonylpropanoic acids from ethyl 2-oxoalkanoates and 2-bromoalkanoic acids. These acids are cyclised via intramolecular dehydration to give 2,4-dialkyl-3-ethoxycarbonyl-3-buten-4-olides or are condensed with allylzinc reagents to give the 4-alkenyl-2,4-dialkyl-3-ethoxycarbonyl-4-butanolides.

  本文描述了从乙基2-氧羧酸酯和2-溴烷酸合成3-酰基-2-烷基-3-乙氧基碳酰基丙酸。这些酸通过分子内脱水环化，生成2,4-二烷基-3-乙氧基碳酰基-3-丁烯-4-内酯，或者与烯丙基锌试剂缩合，生成4-烯基-2,4-二烷基-3-乙氧基碳酰基-4-内酯。
• Photoinitiator, novel compound, and photocurable composition
  申请人：Lachowicz Artur

  公开号：US20050256218A1

  公开（公告）日：2005-11-17

  A photoinitiator is provided which exhibits excellent photosensitivity, yields colorless products, and is usable in thick layer UV curable coating. A novel chemical compound is also provided which is usable for the photoinitator. Photocurable composition is also provided which has these properties. The photoinitiator consists essentially of a compound having a molecular weight of 1000 or less, and having a chemical structure represented by the following formula (1), wherein R 3 and R 4 independently denote a specific alkyl group, and R 1 and R 2 independently denote an electron attracting group or a specific alkyl group, and weight percentage of a chemical structure element represented by the following formula (2), which is expressed in formula (1) based on the total molecular weight of the compound, is 17% to 54% by mass.

  提供了一种光引发剂，其具有优异的光敏度，产物无色，并可用于厚层紫外线固化涂层。还提供了一种新的化合物，可用于制备光引发剂。同时提供了具有这些特性的光固化组合物。该光引发剂基本上由分子量小于或等于1000的化合物组成，其化学结构由以下公式（1）表示，其中R3和R4独立地表示特定的烷基，R1和R2独立地表示电子吸引基团或特定的烷基，根据化合物的总分子量，以下公式（2）所表示的化学结构元素的重量百分比在17%至54%之间。
• Polyphenylene oxide compositions stabilized with beta-diketones
  申请人：ENICHEM S.p.A.

  公开号：EP0480383A2

  公开（公告）日：1992-04-15

  Disclosed are polymeric compositions having excellent thermal stability and containing polyphenylene ether or a blend thereof with at least one (co)polymer of styrene as well as at least one linear and/or cyclic beta-diketone. Said beta-diketones are capable of endowing said compositions with a long-lasting thermal stability in the molten state and of ensuring sufficient fluidity, resulting in improved processability of said compositions.

  所公开的聚合物组合物具有优异的热稳定性，并含有聚苯醚或其与至少一种苯乙烯（共）聚合物以及至少一种线性和/或环状β-二酮的混合物。 所述β-二酮能够赋予所述组合物在熔融状态下持久的热稳定性，并确保足够的流动性，从而改善所述组合物的可加工性。
• Design and synthesis of prostate cancer antigen-1 (PCA-1/ALKBH3) inhibitors as anti-prostate cancer drugs
  作者：Syuhei Nakao、Miyuki Mabuchi、Tadashi Shimizu、Yoshihiro Itoh、Yuko Takeuchi、Masahiro Ueda、Hiroaki Mizuno、Naoko Shigi、Ikumi Ohshio、Kentaro Jinguji、Yuko Ueda、Masatatsu Yamamoto、Tatsuhiko Furukawa、Shunji Aoki、Kazutake Tsujikawa、Akito Tanaka

  DOI：10.1016/j.bmcl.2014.01.008

  日期：2014.2

  A series of 1-aryl-3,4-substituted-1H-pyrazol-5-ol derivatives was synthesized and evaluated as prostate cancer antigen-1 (PCA-1/ALKBH3) inhibitors to obtain a novel anti-prostate cancer drug. After modifying 1-(1H-benzimidazol-2-yl)-3,4-dimethyl-1H-pyrazol-5-ol (1), a hit compound found during random screening using a recombinant PCA-1/ALKBH3, 1-(1H-5-methylbenzimidazol-2-yl)-4-benzyl-3-methyl-1H- pyrazol-5-ol (35, HUHS015), was obtained as a potent PCA-1/ALKBH3 inhibitor both in vitro and in vivo. The bioavailability (BA) of 35 was 7.2% in rats after oral administration. As expected, continuously administering 35 significantly suppressed the growth of DU145 cells, which are human hormone-independent prostate cancer cells, in a mouse xenograft model without untoward effects. (C) 2014 Elsevier Ltd. All rights reserved.
• Synthese de β-ethoxycarbonyl λ-lactones
  作者：F. Gaudemar-Bardone、M. Mladenova、R. Couffignal

  DOI：10.1016/s0040-4039(01)80096-4

  日期：1984.1