diethyl 2-(hydrazinylmethylidene)malonate | 143540-75-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: diethyl 2-(hydrazinylmethylidene)malonate
• 英文别名: diethyl 2-(hydrazineylmethylene)malonate；Diethyl (hydrazinylmethylidene)propanedioate；diethyl 2-(hydrazinylmethylidene)propanedioate
• CAS: 143540-75-4
• 化学式: C₈H₁₄N₂O₄
• 分子量: 202.21
• InChiKey: DNDALECHCHRNPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  90.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  diethyl 2-(hydrazinylmethylidene)malonate 在 水 、 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基乙酰胺 、 水 为溶剂， 反应 6.67h， 生成
  参考文献：
  名称：

  EP2687515

  摘要：

  公开号：
• 作为产物：
  描述：

  乙氧基甲叉丙二酸二乙酯 在 hydrazine hydrate 作用下， 以78%的产率得到diethyl 2-(hydrazinylmethylidene)malonate
  参考文献：
  名称：

  活性烯醇醚在吡唑合成中的应用：与肼的反应和吡唑互变异构的研究。

  摘要：

  用水合肼处理衍生自丙二酸的酯或二腈或戊烷-2,4-二酮的活化烯醇醚。研究了所得产物——吡唑 5——的结构，重点是互变异构和超分子结构。试剂的反向添加导致两种新产品的分离，即双烯肼 6 具有形式上等效的亚基的不对称排列。

  DOI：

  10.3762/bjoc.10.70

文献信息

• Use of activated enol ethers in the synthesis of pyrazoles: reactions with hydrazine and a study of pyrazole tautomerism
  作者：Denisa Tarabová、Stanislava Šoralová、Martin Breza、Marek Fronc、Wolfgang Holzer、Viktor Milata

  DOI：10.3762/bjoc.10.70

  日期：——

  Activated enol ethers derived from esters or the dinitrile of malonic acid, or from pentane-2,4-dione were treated with hydrazine hydrate. The structures of the obtained products - pyrazoles 5 - were studied with a focus on tautomerism and supramolecular structure. A reverse addition of the reagents led to the isolation of two novel products, namely bis-enehydrazines 6 with an unsymmetrical arrangement

  用水合肼处理衍生自丙二酸的酯或二腈或戊烷-2,4-二酮的活化烯醇醚。研究了所得产物——吡唑 5——的结构，重点是互变异构和超分子结构。试剂的反向添加导致两种新产品的分离，即双烯肼 6 具有形式上等效的亚基的不对称排列。
• METHOD FOR PRODUCING PYRAZOLECARBOXYLIC ACID DERIVATIVE
  申请人：Shionogi & Co., Ltd.

  公开号：EP2687515A1

  公开（公告）日：2014-01-22

  Disclosed is a process for producing a pyrazole carboxylic acid derivative which is useful as a significant intermediate of an 11βHSD-1 inhibitor. A compound represented by the Formula (XI): is useful as a significant intermediate of an 11βHSD-1 inhibitor, wherein R1 and R2 are each independently hydrogen or substituted or unsubstituted alkyl, R3 is substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl or substituted or unsubstituted heterocyclyl and R4 is substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl or substituted or unsubstituted heterocyclyl.

  本发明公开了一种吡唑羧酸衍生物的生产工艺，该衍生物可用作 11βHSD-1 抑制剂的重要中间体。 由式（XI）代表的化合物： 可用作 11βHSD-1 抑制剂的重要中间体、 其中 R1 和 R2 各自独立地为氢或取代或未取代的烷基，R3 为取代或未取代的烷基、取代或未取代的烯基、取代或未取代的炔基、取代或未取代的环烷基、取代或未取代的环烯基、取代或未取代的芳基、取代或未取代的杂芳基或取代或未取代的杂环基，且 R4 是取代或未取代的烷基、取代或未取代的烯基、取代或未取代的炔基、取代或未取代的环烷基、取代或未取代的环烯基、取代或未取代的芳基、取代或未取代的杂芳基或取代或未取代的杂环基。
• METHOD FOR PRODUCING PYRAZOLE CARBOXYLIC ACID DERIVATIVE
  申请人：Uenaka Masaaki

  公开号：US20140012013A1

  公开（公告）日：2014-01-09

  Disclosed is a process for producing a pyrazole carboxylic acid derivative which is useful as a significant intermediate of an 11βHSD-1 inhibitor. A compound represented by the Formula (XI): is useful as a significant intermediate of an 11βHSD-1 inhibitor, wherein R 1 and R 2 are each independently hydrogen or substituted or unsubstituted alkyl, R 3 is substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl or substituted or unsubstituted heterocyclyl and R 4 is substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl or substituted or unsubstituted heterocyclyl.
• EP2687515
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis and Characterization of a Calcium‐Pyrazolonato Complex. Observation of <i>In‐Situ</i> Desolvation During Micro‐Electron Diffraction
  作者：Thomas Mies、Christian Schürmann、Sho Ito、Andrew J. P. White、Mark R. Crimmin、Anthony G. M. Barrett

  DOI：10.1002/zaac.202200294

  日期：2023.3

  The synthesis and characterization of a calcium pyrazolonato complex is reported. X-ray diffraction (XRD) of single crystals revealed an octahedral geometry with two axial solvent ligands. Analysis of the bulk sample by means of microcrystal electron diffraction (micro-ED) measurement revealed a polymeric pentagonal bipyramidal coordination geometry joined via a central Ca2O2 ring with axial water

  报道了吡唑啉酸钙络合物的合成和表征。单晶的 X 射线衍射 (XRD) 揭示了具有两个轴向溶剂配体的八面体几何结构。通过微晶电子衍射 (micro-ED) 测量对大块样品进行的分析表明，聚合五角双锥配位几何结构通过具有轴向水配体的中心 Ca 2 O 2环连接。在微 ED 测量过程中，观察到水的流失导致二级结构具有通过中心 Ca 2 O 2连接的聚合物扭曲八面体配位几何结构戒指。这些发现表明 XRD 和微 ED 方法可以在结构测定过程中提供互补数据，并且即使是亲电子金属也容易在微 ED 测量下发生去溶剂化。