methyl (E)-2-ethylpent-2-enoate | 71718-48-4

• 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: methyl (E)-2-ethylpent-2-enoate
• CAS: 71718-48-4
• 化学式: C₈H₁₄O₂
• 分子量: 142.198
• InChiKey: JZNSRGXYUHWOIW-VOTSOKGWSA-N

物化性质

• 沸点：
  171.6±9.0 °C(Predicted)
• 密度：
  0.902±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl (E)-2-ethylpent-2-enoate 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以62%的产率得到(E)-2-ethylpent-2-enoic acid
  参考文献：
  名称：

  Structure-Activity Relationships of Unsaturated Analogs of Valproic Acid

  摘要：

  The principal metabolite of valproic acid (VPA), 2-ene VPA, appears to share most of VPA's pharmacological and therapeutic properties while lacking its hepatotoxicity and teratogenicity, thus making it a useful lead compound for the development of safer antiepileptic drugs. Analogues of 2-ene VPA were evaluated for anticonvulsant activity in mice using the subcutaneous pentylenetetrazole test. Cyclooctylideneacetic acid exhibited a potency markedly exceeding that of VPA itself with only modest levels of sedation. Potency, as either ED(50) or brain concentration, was highly correlated (r > 0.85) with volume and lipophilicity rather than with one of the shape parameters calculated by molecular modeling techniques, arguing against the existence of a specific receptor site. Instead, a role for the plasma membrane in mediating the anticonvulsant effect is suggested.

  DOI：

  10.1021/jm00017a024
• 作为产物：
  描述：

  2-[(1R)-1-bromopropyl]-2-[(1S)-1-bromopropyl]-1,3-dioxolane 生成 methyl (E)-2-ethylpent-2-enoate
  参考文献：
  名称：

  Homoallyl and cyclopropylcarbinyl carbonium ion formations under strongly basic conditions

  摘要：

  DOI：

  10.1021/jo01338a014

文献信息

• DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H-INDAZOLE-3-CARBOXAMIDE, PREPARATION THEREOF AND APPLICATIONS THEREOF IN THERAPEUTICS
  申请人：Badorc Alain

  公开号：US20120277205A1

  公开（公告）日：2012-11-01

  The present invention relates to compounds corresponding to formula (I): in which: A represents a divalent aromatic radical; X represents a —CH— group or a nitrogen atom; R 1 represents a (C 1 -C 4 )alkyl or a (C 1 -C 4 )alkoxy; R 2 represents a group Alk; R 3 represents a hydroxyl or a group —NR 7 R 8 ; R 4 represents a hydrogen atom, a halogen atom, a cyano, a phenyl, a group Alk, a group OAlk or a group —NR 9 R 10 ; R 5 represents a hydrogen atom, a halogen atom or a group Alk; R 6 represents a hydrogen atom, a halogen atom, a cyano, a group —COOAlk or a —CONH 2 group.

  该发明涉及与式(I)对应的化合物：其中：A代表二价芳香基团；X代表一个—CH—基团或一个氮原子；R1代表(C1-C4)烷基或(C1-C4)烷氧基；R2代表一个烷基基团；R3代表一个羟基或一个基团—NR7R8；R4代表氢原子、卤素原子、氰基、苯基、烷基基团、氧烷基团或基团—NR9R10；R5代表氢原子、卤素原子或一个烷基基团；R6代表氢原子、卤素原子、氰基、基团—COOAlk或基团—CONH2。
• 2-Pyrimidylphosphines: A new class of ligands for transition metal catalysis
  作者：Manfred T Reetz、Ralf Demuth、Richard Goddard

  DOI：10.1016/s0040-4039(98)01545-7

  日期：1998.9

  The synthesis of 2-pyrimidyldiphenylphosphine (2), bis-2-pyrimidylphenyl-phosphine (3) and tris-2-pyrimidylphosphine (4) is described. Ligand 2 forms cationic complexes with palladium(II) in which four-membered P/N-chelates are involved, leading to a very active catalyst for the carbonylation of alkynes.

  2- pyrimidyldiphenylphosphine（合成2），双-2- pyrimidylphenyl -膦（3）和三-2- pyrimidylphosphine（4）进行说明。配体2与钯（II）形成阳离子络合物，其中涉及四元P / N螯合物，从而导致炔烃羰基化的非常活泼的催化剂。
• A CONVENIENT STEREOSPECIFIC SYNTHESIS OF α,β-UNSATURATED CARBOXYLIC ESTERS VIA THE PALLADIUM-CATALYZED CARBONYLATION OF 1-ALKENYLBORANES
  作者：Norio Miyaura、Akira Suzuki

  DOI：10.1246/cl.1981.879

  日期：1981.7.5

  1-Alkenyiboranes readily prepared by the hydroboration of alkynes react smoothly with carbon monoxide in the presence of palladium chloride and sodium acetate in methanol to give the corresponding α,β-unsaturated carboxylic esters with retention of configuration with respect to alkenylboranes in good yields.

  通过烷炔的氢硼化容易制备的1-烯基硼烷在甲醇中与煤气反应，存在氯化铂和醋酸钠，可以顺利生成相应的α,β-不饱和羧酸酯，并保持与烯基硼烷的构象一致，产率良好。
• Ag(I)-Catalyzed [3 + 2]-Annulation of Cyclopropenones and Formamides via C–C Bond Cleavage
  作者：Jiang-Tao Ren、Jia-Xin Wang、Hu Tian、Jing-Lei Xu、Hong Hu、Muhammad Aslam、Meng Sun

  DOI：10.1021/acs.orglett.8b02612

  日期：2018.11.2

  An unprecedented Ag-catalyzed [3 + 2]-annulation of cyclopropenones and DMF via C–C bond cleavage is disclosed. This protocol exhibited excellent chemo- and regio-selectivity, and tolerated various functional groups. More importantly, DMF served as the C═O bond in the cycloaddition reaction, providing an efficient way to construct γ-aminobutenolides. In addition, transesterification reaction occurred

  公开了一种前所未有的银催化通过CC键断裂的环丙烷和DMF [3 + 2]环化反应。该方案显示出优异的化学和区域选择性，并能耐受各种官能团。更重要的是，DMF在环加成反应中充当C = O键，为构建γ-氨基丁烯化物提供了一种有效的方法。另外，当DMF被酯取代时，发生酯交换反应。
• MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA
  申请人：Kallus Christopher

  公开号：US20140039011A1

  公开（公告）日：2014-02-06

  The invention relates to compounds of the formula (I) which are inhibitors of activated thrombin-activable fibrinolysis inhibitor. The compounds of the formula I are suitable for producing medicaments for prophylaxis, secondary prevention and treatment of one or more disorders associated with thromboses, embolisms, hypercoagulability or fibrotic changes.

  本发明涉及公式（I）的化合物，它们是活化的凝血酶-可激活纤溶抑制剂的抑制剂。公式I的化合物适用于生产预防、次级预防和治疗与血栓、栓塞、高凝状态或纤维化变化相关的一个或多个疾病的药物。