3,5-diphenyl 2H pyrrole-2,2-dicarboxylate de diethyle | 65939-65-3

• 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: 3,5-diphenyl 2H pyrrole-2,2-dicarboxylate de diethyle
• 英文别名: diethyl 3,5-diphenyl-2H-pyrrole-2,2-dicarboxylate；3,5-diphenyl-pyrrole-2,2-dicarboxylic acid diethyl ester；5,5-Diethoxycarbonyl-2,4-diphenyl-2H-pyrrol；Diethyl 3,5-diphenylpyrrole-2,2-dicarboxylate
• CAS: 65939-65-3
• 化学式: C₂₂H₂₁NO₄
• 分子量: 363.413
• InChiKey: PCHPLEPVFXIKPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  65
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,5-diphenyl 2H pyrrole-2,2-dicarboxylate de diethyle 以 二甲基亚砜 、 xylene 为溶剂， 反应 3.0h， 生成 ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate
  参考文献：
  名称：

  Dérivés arylés et éthoxycarbonylés de 3,4-dihydro 2H pyrrole, 2H pyrrole et pyrrole immunoactifs sur le lymphocyte T humain

  摘要：

  Several pyrroles, 2H pyrroles, 3,3-dihydropyrroles substituted in various positions with phenyl and ethoxycarbonyl groups, were prepared in order to study in vitro their immunoactivity on human T lymphocytes. The best action was observed when on the pyrrole cycle, a carboxylic chain in position 2, an aromatic cycle in 5, and a substituent in 3, particularly a phenyl or a carboxylic ester were simultaneously found to exist. A conformational approach, performed by magnetic anisotropy quantification of phenyls, using Johnson and Bovey increments, showed that the orthogonality of the substituent in 3 is important as regards the pyrrolic cycle. Thus, the ethyl 3,5-diphenylpyrrole-2-carboxylate ester 8 appears to be the most interesting as it is more efficient than the levamisole chlorhydrate in the tests connected with the lymphoblastic transformation in presence of PHA (phytohemaglutinin) and related to the mobilisation of CD2 receptors.

  DOI：

  10.1016/0223-5234(91)90217-b
• 作为产物：
  描述：

  氨基丙二酸二乙酯盐酸盐 在 磷酸单乙基酯 、 potassium carbonate 、 对甲苯磺酸 作用下， 以 氯仿 、 苯 为溶剂， 反应 27.5h， 生成 3,5-diphenyl 2H pyrrole-2,2-dicarboxylate de diethyle
  参考文献：
  名称：

  Sammes, Michael P.; Chung, Margaret W. L.; Katritzky, Alan R., Journal of the Chemical Society. Perkin transactions I, 1985, p. 1773 - 1780

  摘要：

  DOI：

文献信息

• CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST CONTAINING CATALYST COMPONENT AND USE THEREOF
  申请人：Beijing Lihe Technology Ltd.

  公开号：US20170088642A1

  公开（公告）日：2017-03-30

  A catalyst component for olefin polymerization, comprising Mg, Ti, a halogen and an electron donor, wherein the electron donor is at least one unsaturated ring-substituted diacid ester compound. Also provided is a catalyst containing the catalyst component and the use of the catalyst in an olefin polymerization, e.g., propylene polymerization.

  一种用于烯烃聚合的催化剂组分，包括Mg、Ti、卤素和电子给体，其中电子给体至少为一种不饱和环取代二酸酯化合物。还提供了含有该催化剂组分的催化剂以及在烯烃聚合中使用该催化剂，例如丙烯聚合。
• Chung, Margaret W. L.; Lai, Ting-Fong; Sammes, Michael P., Journal of Chemical Research, Miniprint, 1987, # 11, p. 3042 - 3059
  作者：Chung, Margaret W. L.、Lai, Ting-Fong、Sammes, Michael P.

  DOI：——

  日期：——
• BIROUK, M.;HARRAGA, S.;PANOUSE-PERRIN, J.;ROBERT, J. F.;DAMELINCOURT, M.;+, EUR. J. MED. CHEM., 26,(1991) N, C. 91-99
  作者：BIROUK, M.、HARRAGA, S.、PANOUSE-PERRIN, J.、ROBERT, J. F.、DAMELINCOURT, M.、+

  DOI：——

  日期：——
• SAMMES, M. P.;CHUNG, M. W. L.;KATRITZKY, A. R., J. CHEM. SOC. PERKIN TRANS., 1985, N 8, 1773-1779
  作者：SAMMES, M. P.、CHUNG, M. W. L.、KATRITZKY, A. R.

  DOI：——

  日期：——
• KOCH J.; ROBERT J.-F.; PANOUSE J. J., C. R. ACAD. SCI., 1978, C286, NO 2, 95-98
  作者：KOCH J.、 ROBERT J.-F.、 PANOUSE J. J.

  DOI：——

  日期：——