<γ-(ethoxycarbonyl)propyl>triphenylphosphonium iodide | 7743-26-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: <γ-(ethoxycarbonyl)propyl>triphenylphosphonium iodide
• 英文别名: (4-ethoxy-4-oxobutyl)triphenylphosphonium iodide；(4-carbethoxybutyl)triphenylphosphonium iodide；γ-Aethoxycarbonyl-propyl-triphenyl-phosphonium-jodid；(3-Ethoxycarbonylpropyl)triphenylphosphoniumiodid；Phosphonium, iodide, ethyl ester；(4-ethoxy-4-oxobutyl)-triphenylphosphanium;iodide
• CAS: 7743-26-2
• 化学式: C₂₄H₂₆O₂P*I
• 分子量: 504.347
• InChiKey: UBIPJTJGZNBCEB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.33
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  <γ-(ethoxycarbonyl)propyl>triphenylphosphonium iodide 生成 4-Diphenylphosphinoylbutanoic acid
  参考文献：
  名称：

  Rae,I.D.; Umbrasas,B.N., Australian Journal of Chemistry, 1975, vol. 28, p. 2669 - 2680

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯丁酸乙酯 在 sodium iodide 作用下， 以 丁酮 为溶剂， 反应 32.0h， 生成 <γ-(ethoxycarbonyl)propyl>triphenylphosphonium iodide
  参考文献：
  名称：

  Model studies examining the application of allyliminium salt photospirocyclization methodologies in synthetic approaches to the harringtonine alkaloids

  摘要：

  DOI：

  10.1021/jo00176a003

文献信息

• The Influence of Solvents on the Alkylation of Carboxylate Phosphabetaines with Alkyl Iodides
  作者：Yu. V. Bakhtiyarova、R. R. Minnullin、D. I. Bakhtiyarov、M. V. Morozov、K. A. Ivshin、I. V. Galkina、O. N. Kataeva、V. I. Galkin

  DOI：10.1134/s1070363217120064

  日期：2017.12

  The new alkylation reactions of a series of mono- and dicarboxylate phosphabetaines with methyl and ethyl iodides in different solvents have been studied. These reactions have afforded stable compounds: iodine-containing salts of phosphonium with different structure.

  研究了一系列单羧酸和二羧酸膦甜菜碱与甲基和乙基碘在不同溶剂中的新烷基化反应。这些反应提供了稳定的化合物：结构不同的含碘salts盐。
• Ortho-Substituted Benzofused Macrocyclic Lactams as Zinc Metalloprotease Inhibitors
  作者：Gary M. Ksander、Reynalda de Jesus、Andrew Yuan、Ghai、A. Trapani、Colin McMartin、Regine Bohacek

  DOI：10.1021/jm960582o

  日期：1997.2.1

  The design and preparation of ortho-substituted benzofused macrocyclic lactams are described. The benzofused macrocyclic lactams were designed as neutral endopeptidase 24.11 (NEP) inhibitors. Docking studies were carried out in a model of thermolysin (TLN) using the MACROMODEL and QXP modeling programs to select suitable ring sizes. These studies predicted that the 11-, 12-, and 13-membered ring macrocyclic

  描述了邻位取代的苯并稠合的大环内酰胺的设计和制备。苯并稠合的大环内酰胺被设计为中性内肽酶24.11（NEP）抑制剂。使用MACROMODEL和QXP建模程序在嗜热菌素（TLN）模型中进行对接研究，以选择合适的环尺寸。这些研究预测11、12和13元环大环内酰胺在TLN和NEP酶中均具有活性。在该系列中，观察到与嗜热菌素结合以及与NEP结合程度较小的实验结果具有良好的可预测性。视觉比较，停靠在TLN的活性位点上，是对thiorphan，一个10元环大环和一个11元环苯并稠合的大环内酰胺的视觉比较。获得了对NEP和嗜热菌蛋白酶的有效抑制。11元环大环化合物25a是该系列化合物中最有效的抑制剂（TLN IC50 = 68 nM； NEP IC50 = 0.9 nM）。在清醒的大鼠中，以10 mg / kg po给药的前药44b对清醒大鼠血浆心钠素水平（ANP）的影响在4小时内大于200％。
• Isolation and synthesis of caprolactins A and B, new caprolactams from a marine bacterium
  作者：Bradley S. Davidson、Robert W. Schumacher

  DOI：10.1016/s0040-4020(01)81825-1

  日期：1993.7

  Two new caprolactams have been isolated from an unidentified Gram-positive bacterium obtained from a deep-ocean sediment sample. Caprolactins A (1) and B (2), which were obtained as an inseparable mixture, are composed of cyclic-L-lysine linked to 7-methyloctanoic acid and 6-methyloctanoic acid, respectively. The structures were proposed using spectroscopic methods and confirmed by synthesis. Both caprolactins A and B are cytotoxic towards human epidermoid carcinoma (KB) cells and human colorectal adenocarcinoma (LoVo) cells and exhibit antiviral activity towards Herpes simplex type II virus.
• Rae,I.D.; Umbrasas,B.N., Australian Journal of Chemistry, 1975, vol. 28, p. 2669 - 2680
  作者：Rae,I.D.、Umbrasas,B.N.

  DOI：——

  日期：——
• Model studies examining the application of allyliminium salt photospirocyclization methodologies in synthetic approaches to the harringtonine alkaloids
  作者：Fang Ting Chiu、John W. Ullrich、Patrick S. Mariano

  DOI：10.1021/jo00176a003

  日期：1984.1