3-(2-乙氧基羰基-乙基)-5-甲基-1H-吡咯-2-羧酸乙酯 | 40515-75-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 中文名称: 3-(2-乙氧基羰基-乙基)-5-甲基-1H-吡咯-2-羧酸乙酯
• 中文别名: 3-(2-乙氧基羰基乙基)-5-甲基吡咯-2-羧酸乙酯
• 英文名称: 5-Ethoxycarbonyl-4-(2-ethoxycarbonyl-ethyl)-2-methyl-pyrrol
• 英文别名: 3-(2-Carbethoxyethyl)-5-methylpyrrol-2-carbonsaeureethylester；2-Methyl-4-(2-ethoxycarbonylethyl)-5-ethoxycarbonyl-pyrrol；2-Methyl-pyrrol-carbonsaeureethylester-5-(β-propionsaeure-ethylester)-4；2-Ethoxycarbonyl-3-(2-ethoxycarbonyl-ethyl)-5-methyl-pyrrol；3-(2-ethoxycarbonyl-ethyl)-5-methyl-pyrrole-2-carboxylic acid ethyl ester；3-(2-Aethoxycarbonyl-5-methyl-pyrrol-3-yl)-propionsaeure-aethylester；3-(2-ethoxycarbonyl-5-methyl-pyrrol-3-yl)-propionic acid ethyl ester；2-methyl-5-carboxy pyrrole-4-propionic acid diethyl ester；2-carboethoxy-3-carboethoxyethyl-5-methyl-pyrrole；Ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2-carboxylate
• CAS: 40515-75-1
• 化学式: C₁₃H₁₉NO₄
• 分子量: 253.298
• InChiKey: OTGFBIQHQGYXLE-UHFFFAOYSA-N

物化性质

• 熔点：
  67-67.5
• 沸点：
  386.2±42.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  68.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  3-(2-乙氧基羰基-乙基)-5-甲基-1H-吡咯-2-羧酸乙酯 在 盐酸 、 sodium hydroxide 、 乙醚 、 氯仿 、 硫酸 、 钯 、 溶剂黄146 作用下， 27.0 ℃ 、392.24 kPa 条件下， 生成 3-(2-carboxy-ethyl)-4-carboxymethyl-5-methyl-pyrrole-2-carboxylic acid
  参考文献：
  名称：

  苯并二甲酸和一些二吡咯的合成

  摘要：

  吡咯IIe由已知的IIc得到，水解为IIIb。这最后可以部分脱羧为血吡咯-二羧酸 IIIc，或者与甲酸一起转化为...

  DOI：

  10.1139/v55-056
• 作为产物：
  描述：

  3-氧代己二酸二乙酯 在 盐酸 、 对甲苯磺酸 、 溶剂黄146 作用下， 生成 3-(2-乙氧基羰基-乙基)-5-甲基-1H-吡咯-2-羧酸乙酯
  参考文献：
  名称：

  What Happens to the State in Conflict?: Political Analysis as a Tool for Planning Humanitarian Assistance

  摘要：

  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.

  DOI：

  10.1111/1467-7717.00150

文献信息

• Alkylation process
  申请人：Canadian Patents & Development Limited

  公开号：US04070366A1

  公开（公告）日：1978-01-24

  Substituted pyrrole compounds, such as 3-ethyl-4-methyl-5-carbethoxy pyrrole, 2,4-dimethyl-3-acetyl pyrrole and 2-methyl-5-carboxy pyrrole-4-propionic acid diethyl ester, are alkylated in a single step by reaction with an aldehyde or ketone in the presence of both an acid condensing agent such as hydriodic acid and a compatible reducing agent such as metallic zinc or stannous chloride. Suitable carbonyl reactants include formaldehyde, paraldehyde, isobutyraldehyde, acetone, cyclohexanone and methyl-isobutyl ketone. This application is a continuation application of U.S. application Ser. No. 281,624 filed Aug. 18, 1972, now abandoned, which is a continuation-in-part application of U.S. application Ser. No. 832,001, filed June 10, 1969, now abandoned.

  取代吡咯类化合物，如3-乙基-4-甲基-5-羰基乙酸酯吡咯、2,4-二甲基-3-乙酰基吡咯和2-甲基-5-羧基吡咯-4-丙酸二乙酯，可通过与醛或酮在存在酸性缩合剂（如碘化氢）和兼容的还原剂（如金属锌或氯化亚锡）的情况下进行一步反应进行烷基化。适合的羰基反应物包括甲醛、对甲醛、异丁醛、丙酮、环己酮和甲基异丁基酮。本申请是美国1972年8月18日申请的第281,624号专利申请的继续申请，该专利申请已被放弃，是美国1969年6月10日申请的第832,001号专利申请的续展部分申请。
• Chen; Dolphin, Synthesis, 2001, # 1, p. 40 - 42
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• Cytodeuteroporphyrin^1,2
  作者：G. S. Marks、D. K. Dougall、E. Bullock、S. F. MacDonald

  DOI：10.1021/ja01497a049

  日期：1960.6
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  作者：Wilen, Samuel H.、Shen, DeKang、Licata, Joseph M.、Baldwin, Enoch、Russell, Charlotte S.

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• 805. A general route to ββ′-substituted pyrrole intermediates for porphyrin synthesis
  作者：S. F. MacDonald

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