Diethyl 2-(4-oxobutyl)propanedioate | 175663-10-2

• 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: Diethyl 2-(4-oxobutyl)propanedioate
• 英文别名: diethyl 2-(4-oxobutyl)propanedioate
• CAS: 175663-10-2
• 化学式: C₁₁H₁₈O₅
• 分子量: 230.261
• InChiKey: JFHLOASPOVCVCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Diethyl 2-(4-oxobutyl)propanedioate 在 lithium hydroxide 、 sodium hydroxide 、 正丁基锂 、 'Amberlite' IR-120 H⁺ 、 三氟乙酸 、 magnesium bromide 作用下， 反应 45.25h， 生成 2-[4-Hydroxy-4-(2H-[1,2,4]triazol-3-yl)-butyl]-malonic acid
  参考文献：
  名称：

  Synthesis of inhibitors of imidazole glycerol phosphate dehydratase

  摘要：

  Novel inhibitors of the newly discovered herbicide target enzyme imidazole glycerol phosphate dehydratase are described. The most potent inhibitor, compound 6 (IC50 < mu M), arose by linking a 1,2,4-triazole and phosphonic acid via a five atom chain. The use of malonate as a phosphate equivalent also gave rise to inhibitors, the best being compound 12 (IC50 similar to 6 mu M).

  DOI：

  10.1016/0960-894x(96)00076-5
• 作为产物：
  描述：

  2-羟基环戊烷-1,1-二羧酸二乙酯 在 十二/十四烷基二甲基氧化胺 作用下， 以 乙腈 为溶剂， 反应 18.0h， 生成 Diethyl 2-(4-oxobutyl)propanedioate
  参考文献：
  名称：

  Tandem retro-aldol/Wittig/Michael and related cascade processes

  摘要：

  A number of novel tandem sequences initiated by a retro-aldol process are described along with preliminary scope and limitation studies. These include (i) retro-aldol/Wittig trapping/intramolecular Michael addition, (ii) retro-aldol/aza-Wittig/intramolecular imine addition, (iii) retro-aldol/Henry/intramolecular Michael addition and (iv) retro-aldol/Knoevenagel/intramolecular Michael addition sequences. A range of novel functionalised cyclopentanes, and related systems, are described which should prove to be useful synthetic building blocks. (C) 2009 Elsevier Ltd. All Fights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.115

文献信息

• Hydroformylation of 1,6-dienes with carbonylhydridotris(triphenylphosphine)rhodium
  作者：Ronald Grigg、Gerald J. Reimer、Alan R. Wade

  DOI：10.1039/p19830001929

  日期：——

  using [Rh(H)CO(PPh3)3] as catalyst. Octa-1,6-dienes are hydroformylated specifically at the terminal double bond and good selectivity for the n-aldehyde is observed when a 2:1 mixture of hydrogen and carbon monoxide are used. Both mono- and di-formyl derivatives are formed from 4,4-diacetylhepta-1,6-diene, with a strong preference for n-aldehydes. The effect of catalyst concentration on product distribution

  使用[Rh（H）CO（PPh 3）3在室温和大气压下已实现了许多1,6-二烯的加氢甲酰化]作为催化剂。Octa-1,6-二烯专门在末端双键处被加氢甲酰化，当使用氢气和一氧化碳的2：1混合物时，可观察到对正醛的良好选择性。单-和二-甲酰基衍生物均由4,4-二乙酰基庚-1,6-二烯形成，强烈推荐使用正醛。报告了催化剂浓度对产物分布的影响。通过用一氧化硫或二氧化硫保护二烯部分作为其环加合物，可以选择性地将Octa-1,3,7-三烯加氢甲酰化，并且在亚甲基环戊烷进行区域特异性加氢甲酰化的同时，亚甲基环丁烷异构化为甲基环丁烯。
• Thienotriazolodiazepine compounds and pharmaceutical uses thereof
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：EP0328924A2

  公开（公告）日：1989-08-23

  Thienotriazolodiazepine compounds of the formula: wherein each symbol is as defined in the specification and pharmaceutically acceptable salts thereof, and pharmaceutical uses thereof. Said compounds exhibit PAF-antagonistic activity and are useful for the prevention or treatment of various PAF-induced diseases.

  式中的噻吩三唑二氮杂卓化合物： 其中各符号如说明书中所定义及其药学上可接受的盐，以及它们的药物用途。 所述化合物具有 PAF 拮抗活性，可用于预防或治疗各种 PAF 引起的疾病。
• US4937240A
  申请人：——

  公开号：US4937240A

  公开（公告）日：1990-06-26
• Tandem retro-aldol/Wittig/Michael and related cascade processes
  作者：Sandra Beltrán-Rodil、James R. Donald、Michael G. Edwards、Steven A. Raw、Richard J.K. Taylor

  DOI：10.1016/j.tetlet.2009.02.115

  日期：2009.7

  A number of novel tandem sequences initiated by a retro-aldol process are described along with preliminary scope and limitation studies. These include (i) retro-aldol/Wittig trapping/intramolecular Michael addition, (ii) retro-aldol/aza-Wittig/intramolecular imine addition, (iii) retro-aldol/Henry/intramolecular Michael addition and (iv) retro-aldol/Knoevenagel/intramolecular Michael addition sequences. A range of novel functionalised cyclopentanes, and related systems, are described which should prove to be useful synthetic building blocks. (C) 2009 Elsevier Ltd. All Fights reserved.
• Synthesis of inhibitors of imidazole glycerol phosphate dehydratase
  作者：Stephen D. Lindell、Christopher G. Earnshaw、Brian J. Wright (deceased)、David S. Carver、Mary J. O'Mahony、Elizabeth A. Saville-Stones

  DOI：10.1016/0960-894x(96)00076-5

  日期：1996.3

  Novel inhibitors of the newly discovered herbicide target enzyme imidazole glycerol phosphate dehydratase are described. The most potent inhibitor, compound 6 (IC50 < mu M), arose by linking a 1,2,4-triazole and phosphonic acid via a five atom chain. The use of malonate as a phosphate equivalent also gave rise to inhibitors, the best being compound 12 (IC50 similar to 6 mu M).