(+/-)-trans-methyl 3-(methoxycarbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid | 31517-37-0

• 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: (+/-)-trans-methyl 3-(methoxycarbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
• 英文别名: 3,6-Endoethylen-tetrahydrophthalsaeure-dimethylester；Dimethyl bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
• CAS: 31517-37-0
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: FPRGHVZMTXXTRC-UHFFFAOYSA-N

物化性质

• 沸点：
  303.1±42.0 °C(Predicted)
• 密度：
  1.171±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (+/-)-trans-methyl 3-(methoxycarbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid 生成 5-ene-2,3-dicarboxy-bicyclo[2.2.2]octane
  参考文献：
  名称：

  KLUNDER, A. J. H.;VAN, GASTEL F. J. C.;ZWANENBURG, B., TETRAHEDRON LETT., 29,(1988) N 22, C. 2697-2700

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-环己二烯 、 富马酸二甲酯 在 1-hexadecyl-3-methylimidazolium chloride/MCM-48 作用下， 以 甲苯 为溶剂， 反应 72.0h， 以100%的产率得到(+/-)-trans-methyl 3-(methoxycarbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
  参考文献：
  名称：

  Metal-free activation of C–C multiple bonds through halide ion pairs: Diels–Alder reactions with subsequent aromatization

  摘要：

  Imidazolium and ammonium halides, both in homogeneous phase or immobilized on mesoporous silica, proved able to promote the aromatization reaction of Diels-Alder adducts under ethylene and H(2) elimination. These observations point to the increased nucleophilicity of such halide ions. They also open the possibility to employ such ion pairs as nucleophilic organocatalysts, for example, as substitutes for phosphines or amines. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.027

文献信息

• [EN] INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF<br/>[FR] INHIBITEURS DE RÉPLICATION DU VIRUS DE LA GRIPPE ET UTILISATIONS ASSOCIÉES
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2018108125A1

  公开（公告）日：2018-06-21

  The invention provides a class of compounds as inhibitors of influenza virus replication, preparation methods thereof, pharmaceutical compositions containing these compounds, and uses of these compounds and pharmaceutical compositions thereof in the treatment of influenza.

  本发明提供了一类作为流感病毒复制抑制剂的化合物、其制备方法、含有这些化合物的药物组合物，以及这些化合物和药物组合物在治疗流感中的用途。
• CALDIROLA, P.;DE, AMICI, M.;DE, MICHELI, C.;PEVARELLO, P., HETEROCYCLES, 1985, 23, N 10, 2479-2482
  作者：CALDIROLA, P.、DE, AMICI, M.、DE, MICHELI, C.、PEVARELLO, P.

  DOI：——

  日期：——
• US4347254A
  申请人：——

  公开号：US4347254A

  公开（公告）日：1982-08-31
• Metal-free activation of C–C multiple bonds through halide ion pairs: Diels–Alder reactions with subsequent aromatization
  作者：Helena Kaper、Markus Antonietti、Frédéric Goettmann

  DOI：10.1016/j.tetlet.2008.05.027

  日期：2008.7

  Imidazolium and ammonium halides, both in homogeneous phase or immobilized on mesoporous silica, proved able to promote the aromatization reaction of Diels-Alder adducts under ethylene and H(2) elimination. These observations point to the increased nucleophilicity of such halide ions. They also open the possibility to employ such ion pairs as nucleophilic organocatalysts, for example, as substitutes for phosphines or amines. (c) 2008 Elsevier Ltd. All rights reserved.
• KLUNDER, A. J. H.;VAN, GASTEL F. J. C.;ZWANENBURG, B., TETRAHEDRON LETT., 29,(1988) N 22, C. 2697-2700
  作者：KLUNDER, A. J. H.、VAN, GASTEL F. J. C.、ZWANENBURG, B.

  DOI：——

  日期：——