1,1,2-pentanetricarboxylic acid triethyl ester | 78423-27-5

• 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: 1,1,2-pentanetricarboxylic acid triethyl ester
• 英文别名: triethyl pentane-1,1,2-tricarboxylate；Pentan-tricarbonsaeure-(1,1,2)-triaethylester；pentane-1,1,2-tricarboxylic acid triethyl ester；Pentan-1,1,2-tricarbonsaeure-triaethylester
• CAS: 78423-27-5
• 化学式: C₁₄H₂₄O₆
• 分子量: 288.341
• InChiKey: AGZJCRXHRUPAHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,1,2-pentanetricarboxylic acid triethyl ester 在 盐酸 作用下， 生成 丙琥珀酸
  参考文献：
  名称：

  Preobrazhenskii,N.A. et al., Journal of general chemistry of the USSR, 1960, vol. 30, p. 2233 - 2237

  摘要：

  DOI：
• 作为产物：
  描述：

  正戊酸 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 1,1,2-pentanetricarboxylic acid triethyl ester
  参考文献：
  名称：

  Preobrazhenskii,N.A. et al., Journal of general chemistry of the USSR, 1960, vol. 30, p. 2233 - 2237

  摘要：

  DOI：

文献信息

• [EN] NOVEL VIRAL REPLICATION INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE RÉPLICATION VIRALE
  申请人：UNIV LEUVEN KATH

  公开号：WO2011015641A1

  公开（公告）日：2011-02-10

  The present invention relates to a series of novel compounds having antiviral activity, more specifically HIV (Human Immunodeficiency Virus) replication inhibiting properties. The invention also relates to methods for the preparation of such compounds, as well as to novel intermediates useful in one or more steps of such syntheses. The invention also relates to pharmaceutical compositions comprising an effective amount of such compounds as active ingredients. This invention further relates to the use of such compounds as medicines or in the manufacture of a medicament useful for the treatment of animals suffering from viral infections, in particular HIV infection. This invention further relates to methods for the treatment of viral infections in animals by the administration of a therapeutical amount of such compounds, optionally combined with one or more other drugs having antiviral activity.

  本发明涉及一系列具有抗病毒活性的新化合物，更具体地说是具有抑制HIV（人类免疫缺陷病毒）复制的特性。该发明还涉及制备这些化合物的方法，以及在这些合成步骤中使用的新中间体。该发明还涉及包含这些化合物作为活性成分的有效量的药物组合物。本发明进一步涉及将这些化合物用作药物或用于制造对患有病毒感染，特别是HIV感染的动物进行治疗的药物。本发明还涉及通过给动物投予这些化合物的治疗量，可选择地与具有抗病毒活性的一个或多个其他药物结合的方法来治疗动物的病毒感染。
• C(sp ³ )–H functionalizations of light hydrocarbons using decatungstate photocatalysis in flow
  作者：Gabriele Laudadio、Yuchao Deng、Klaas van der Wal、Davide Ravelli、Manuel Nuño、Maurizio Fagnoni、Duncan Guthrie、Yuhan Sun、Timothy Noël

  DOI：10.1126/science.abb4688

  日期：2020.7.3

  alkyl halide reagents. Laudadio et al. now report a convenient method to add ethane and propane directly across conjugated olefins with no prefunctionalization or byproducts (see the Perspective by Oksdath-Mansilla). The C–H bond scission in this hydroalkylation is accomplished by a decatungstate photocatalyst that also acts as a hydrogen atom transfer agent to complete the process. The reaction, optimized

  使用碳氢化合物作为试剂向复杂分子中添加小的烷基通常依赖于卤代烷试剂。劳达迪奥等。现在报告了一种无需预官能化或副产物直接在共轭烯烃中添加乙烷和丙烷的便捷方法（参见 Oksdath-Mansilla 的观点）。这种加氢烷基化反应中的 C-H 键断裂是由一种脱钨酸盐光催化剂完成的，该催化剂还充当氢原子转移剂以完成该过程。在流动条件下优化的反应也适用于甲烷，尽管效率较低。科学，这个问题 p。92; 另见第 34 光催化方法将饱和烃添加到共轭烯烃中，没有副产物。气态烃的直接活化仍然是化学界面临的主要挑战。由于这些化合物的内在惰性，通常需要苛刻的反应条件才能使 C(sp3)–H 键断裂，从而阻碍了合成有机化学中的潜在应用。在这里，我们报告了一种通用且温和的策略，在室温下使用廉价的十钨酸盐作为光催化剂，通过氢原子转移来激活甲烷、乙烷、丙烷和异丁烷中的 C(sp3)-H 键。相应的以碳为中心的自由基可以被
• Some ω-(2-amino-6-hydroxy-4-oxo-3,4-dihydro-5-pyrimidinyl) alkanoic acids, their derivatives and analogues
  作者：Miroslav Semonský、Antonín Černý、Jiří Křepelka、Rudolf Kotva、Bohumil Kakáč、Jiří Holubek、Jaroslav Vachek

  DOI：10.1135/cccc19803583

  日期：——

  Condensation of 1,1,ω-alkanetricarboxylic acids triethyl esters XIV-XXI with guanidine gave ω-(2-amino-6-hydroxy-4-oxo-3,4-dihydro-5-pyrimidinyl) alkanoic acids I-IV, VI-VIII, XIII of which some were converted to derivatives (ethyl ester V, N-acyl derivatives XI and XII). Similarly, triester XVII gave by condensation with urea or thiourea the analogous 5-substituted derivatives of barbituric acid X, and thiobarbituric acid IX, respectively. The structures of selected compounds of this group (IV, V, IX-XI and XIII) were determined by spectral methods. Of interest, from the pharmacological point of view, has proved compound IV, which exhibited a significant antineoplastic effect on some experimental tumours in mice and rats, and enhanced the action of some current cytostatics.

  1,1,ω-烷基三羧酸三乙酯与胍啉缩合得到了ω-(2-氨基-6-羟基-4-氧代-3,4-二氢-5-嘧啶基) 烷酸，其中一些转化为衍生物（乙酯酯，N-酰基衍生物和）。类似地，三酯与尿素或硫脲缩合得到了相应的5-取代衍生物。这个组合物的结构（IV、V、IX-XI和XIII）通过光谱方法确定。其中，显示出显著抗肿瘤作用的化合物是IV，对小鼠和大鼠的一些实验性肿瘤有显著的抗肿瘤作用，并增强了某些当前细胞毒药物的作用。
• NOVEL VIRAL REPLICATION INHIBITORS
  申请人：Chaltin Patrick

  公开号：US20120129840A1

  公开（公告）日：2012-05-24

  The present invention relates to a series of novel compounds having antiviral activity, more specifically HIV (Human Immunodeficiency Virus) replication inhibiting properties. The invention also relates to methods for the preparation of such compounds, as well as to novel intermediates useful in one or more steps of such syntheses. The invention also relates to pharmaceutical compositions comprising an effective amount of such compounds as active ingredients. This invention further relates to the use of such compounds as medicines or in the manufacture of a medicament useful for the treatment of animals suffering from viral infections, in particular HIV infection. This invention further relates to methods for the treatment of viral infections in animals by the administration of a therapeutical amount of such compounds, optionally combined with one or more other drugs having antiviral activity.

  本发明涉及一系列具有抗病毒活性的新化合物，更具体地说是具有抑制HIV（人类免疫缺陷病毒）复制的特性。本发明还涉及制备这些化合物的方法，以及在这些合成的一个或多个步骤中有用的新中间体。本发明还涉及包含有效量这些化合物作为活性成分的药物组合物。本发明还涉及将这些化合物用作药物或制造用于治疗患有病毒感染的动物，特别是HIV感染的药物的用途。本发明还涉及通过给动物施用治疗量这些化合物的方法，可选地结合一种或多种具有抗病毒活性的其他药物，治疗动物的病毒感染。
• Viral replication inhibitors
  申请人：Chaltin Patrick

  公开号：US08906906B2

  公开（公告）日：2014-12-09

  The present invention relates to a series of novel compounds having antiviral activity, more specifically HIV (Human Immunodeficiency Virus) replication inhibiting properties. The invention also relates to methods for the preparation of such compounds, as well as to novel intermediates useful in one or more steps of such syntheses. The invention also relates to pharmaceutical compositions comprising an effective amount of such compounds as active ingredients. This invention further relates to the use of such compounds as medicines or in the manufacture of a medicament useful for the treatment of animals suffering from viral infections, in particular HIV infection. This invention further relates to methods for the treatment of viral infections in animals by the administration of a therapeutical amount of such compounds, optionally combined with one or more other drugs having antiviral activity.

  本发明涉及一系列具有抗病毒活性的新型化合物，更具体地说，是具有抑制HIV（人类免疫缺陷病毒）复制的特性。本发明还涉及制备这种化合物的方法，以及在这些合成步骤中有用的新型中间体。本发明还涉及包含有效量的这种化合物作为活性成分的制药组合物。此外，本发明还涉及使用这种化合物作为药物或制造有用于治疗患有病毒感染的动物，特别是HIV感染的药物。此外，本发明还涉及通过给动物施加治疗量的这种化合物，可选地与一种或多种其他具有抗病毒活性的药物结合，治疗动物病毒感染的方法。