Ethyl 3-(ethoxycarbonyl)methyl-5-methylpyrrole-2-carboxylate | 53700-88-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Ethyl 3-(ethoxycarbonyl)methyl-5-methylpyrrole-2-carboxylate
• 英文别名: 3-ethoxycarbonylmethyl-5-methyl-pyrrole-2-carboxylic acid ethyl ester；(2-Aethoxycarbonyl-5-methyl-pyrrol-3-yl)-essigsaeure-aethylester；2-carboethoxy-3-carboethoxymethyl-5-methyl-pyrrole；3-ethoxycarbonylmethyl-5-methyl-1 H-pyrrole-2-carboxylic acid ethyl ester；ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylate
• CAS: 53700-88-2
• 化学式: C₁₂H₁₇NO₄
• 分子量: 239.271
• InChiKey: WIZOCPIKLRHRGE-UHFFFAOYSA-N

物化性质

• 熔点：
  91-92 °C
• 沸点：
  371.2±42.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)
• 溶解度：
  34.7 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  68.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 3-(ethoxycarbonyl)methyl-5-methylpyrrole-2-carboxylate 在 sodium hydroxide 、 乙醇 、 甲苯 、 间苯二酚 作用下， 生成 2,4-二甲基吡咯-3,5-二羧酸二乙酯
  参考文献：
  名称：

  805.合成卟啉的ββ'-取代吡咯中间体的一般路线

  摘要：

  DOI：

  10.1039/jr9520004176
• 作为产物：
  描述：

  2-乙基-3-(2-乙氧基-2-氧代乙基)-5-甲基-1H-吡咯-2,4-二羧酸-4-苄酯 在 palladium on activated charcoal 盐酸 、 氢气 、 碘 、 碳酸氢钠 、 三乙胺 、 sodium iodide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 1,2-二氯乙烷 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 反应 0.42h， 生成 Ethyl 3-(ethoxycarbonyl)methyl-5-methylpyrrole-2-carboxylate
  参考文献：
  名称：

  乙烯基卟啉的有效途径

  摘要：

  描述了 1-bromo-19-methylbiladienes-ac 在乙烯基卟啉合成中的应用。讨论了乙烯基前体对二吡咯亚甲基中间体反应和线性四吡咯结构的影响。介绍了甲基乙烯基卟啉、H-乙烯基类似物以及两种 A,C-二乙烯基卟啉的高产合成。关键词：吡咯，二吡咯亚甲基，乙酰氧基乙基吡咯，氯乙基吡咯，双二烯-ac，卟啉，乙烯基卟啉，苯并卟啉，脱羧，酯交换。

  DOI：

  10.1139/v90-289

文献信息

• 4-aryl substituted indolinones
  申请人：Sugen, Inc.

  公开号：US20030069297A1

  公开（公告）日：2003-04-10

  The present invention relates to 4-arylindolinones, as well as pharmaceutical compositions thereof, capable of modulating protein kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. The present invention also relates to methods for treating protein kinase related disorders.

  本发明涉及4-芳基吲哚酮，以及其药物组合物，能够调节蛋白激酶信号传导，以调节、调节和/或抑制异常细胞增殖。本发明还涉及治疗蛋白激酶相关疾病的方法。
• Transformation of a monovinylporphyrin to benzoporphyrins via Diels-Alder adducts
  作者：Paul Yon-Hin、Tilak P. Wijesekera、David Dolphin

  DOI：10.1016/s0040-4039(01)93324-6

  日期：——

  β-unsubstituted-β′-vinylporphyrin has been synthesized which reacted with an excess of acetylenedicarboxylate ester to give monobenzoporphyrins in high yield. Evidence that suggests an isomerization of the initial adduct to a new porphyrin enroute to the benzoporphyrin is presented.

  已经合成了β-未取代的-β'-乙烯基卟啉，其与过量的乙炔二羧酸酯反应以高收率得到单苯并卟啉。提出的证据表明初始加合物异构化为新的卟啉，并途经苯并卟啉。
• Alkylation of substituted pyrrole dianions; Synthetic studies directed at the B/C ring systems of CC-1065
  作者：Thomas A. Bryson、Gary A. Roth、Liu Jing-hau

  DOI：10.1016/s0040-4039(00)83853-8

  日期：1986.1

  The dianion chemistry of pyrroles is investigated using several alkylating agents. Inter-followed by intramolecular alkylation with dibromoethane affords cyclopropylpyrroles 7–10.

  使用几种烷基化剂研究了吡咯的二价阴离子化学。与二溴乙烷进行分子内烷基化反应后得到环丙基吡咯7-10。
• 4-Aryl substituted indolinones
  申请人：Sugen, Inc.

  公开号：US20040157909A1

  公开（公告）日：2004-08-12

  The present invention relates to 4-arylindolinones, as well as pharmaceutical compositions thereof, capable of modulating protein kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. The present invention also relates to methods for treating protein kinase related disorders.

  本发明涉及4-芳基吲哚酮，以及其制药组合物，能够调节蛋白激酶信号传导，以调节、调节和/或抑制异常细胞增殖。本发明还涉及用于治疗蛋白激酶相关疾病的方法。
• What Happens to the State in Conflict?: Political Analysis as a Tool for Planning Humanitarian Assistance
  作者：Lionel Cliffe、Robin Luckham

  DOI：10.1111/1467-7717.00150

  日期：2000.12

  It is now part of received wisdom that humanitarian assistance in conflict and post‐conflict situations may be ineffective or even counterproductive in the absence of an informed understanding of the broader political context in which so‐called ‘complex political emergencies’ (CPEs) occur. Though recognising that specific cases have to be understood in their own terms, this article offers a framework for incorporating political analysis in policy design. It is based on a programme of research on a number of countries in Africa and Asia over the last four years. It argues that the starting‐point should be an analysis of crises of authority within contemporary nation‐states which convert conflict (a feature of all political systems) into violent conflict; of how such conflict may in turn generate more problems for, or even destroy, the state; of the deep‐rooted political, institutional and developmental legacies of political violence; and of the difficulties that complicate the restoration of legitimate and effective systems of governance after the ‘termination’ of conflict. It then lists a series of questions which such an analysis would need to ask — less in order to provide a comprehensive check‐list than to uncover underlying political processes and links. It is hoped these may be used not only to understand the political dynamics of emergencies, but also to identify what kinds of policy action should and should not be given priority by practitioners.