1-(2-Acetoxy-ethyl)-pyrrolidon-(2) | 52580-83-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1-(2-Acetoxy-ethyl)-pyrrolidon-(2)
• 英文别名: 2-(2-Oxopyrrolidin-1-yl)ethyl acetate
• CAS: 52580-83-3
• 化学式: C₈H₁₃NO₃
• mdl: MFCD18431049
• 分子量: 171.196
• InChiKey: FWZALIHLFUDLNV-UHFFFAOYSA-N

物化性质

• 沸点：
  163-164 °C(Press: 2.5 Torr)
• 密度：
  1.1301 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-Acetoxy-ethyl)-pyrrolidon-(2) 以 乙腈 为溶剂， 反应 7.5h， 生成 tetrahydro-6-<1-(2-oxopyrrolidinyl)>-1H-azepine-2,5-dione
  参考文献：
  名称：

  Takechi, Haruko; Tateuchi, Sumiko; Machida, Minoru, Chemical and pharmaceutical bulletin, 1986, vol. 34, # 8, p. 3142 - 3152

  摘要：

  DOI：
• 作为产物：
  描述：

  N-羟乙基-2-吡咯烷酮 、 乙酸酐 反应 1.0h， 生成 1-(2-Acetoxy-ethyl)-pyrrolidon-(2)
  参考文献：
  名称：

  Takechi, Haruko; Tateuchi, Sumiko; Machida, Minoru, Chemical and pharmaceutical bulletin, 1986, vol. 34, # 8, p. 3142 - 3152

  摘要：

  DOI：

文献信息

• On the solvolysis kinetics of amidoesters derived from β-aminoalcohols
  作者：Jamilah N. Hankins、Michele Gouws、Amir Mahajer、Ethan S. Kim、Kevin P. Gwaltney、John Haseltine

  DOI：10.1016/j.tetlet.2012.03.017

  日期：2012.5

  fifteen amidoesters derived from β-aminoalcohols were solvolyzed at the ester group in mildly basic methanol-d4. All trials showed pseudo-first-order kinetics by 1H NMR. The rate constants are about 2 to 140-fold larger than those found with simple alkyl esters. The least bulky N-acyl groups generally sponsor the largest rate constants, and strongly so in two cases, but apparently not as a result of

  为了更好地了解此类系统的反应性，将15种衍生自β-氨基醇的酰胺基酯在弱碱性甲醇d 4中的酯基处溶剂化。所有试验均通过1 H NMR显示出伪一级动力学。速率常数比简单烷基酯的速率常数大约2至140倍。最小体积的N-酰基基团通常提供最大的速率常数，在两种情况下强烈如此，但是显然不是由于酰胺基团和酯基团之间的空间拥挤程度较小所致。对于那些在酰胺键上倾向于抗构象的酰胺基酯，速率常数也更大。
• Novel sulfonamide inhibitors of aspartyl protease
  申请人：Tung Roger D.

  公开号：US20080293727A1

  公开（公告）日：2008-11-27

  The present invention relates to a novel class of sulfonamides which are aspartyl protease inhibitors. In one embodiment, this invention relates to a novel class of HIV aspartyl protease inhibitors characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting HIV-1 and HIV-2 protease activity and consequently, may be advantageously used as anti-viral agents against the HIV-1 and HIV-2 viruses. This invention also relates to methods for inhibiting the activity of HIV aspartyl protease using the compounds of this invention and methods for screening compounds for anti-HIV activity.

  本发明涉及一种新型的磺胺类化合物，其是天冬氨酸蛋白酶抑制剂。在一个实施例中，本发明涉及一种新型的HIV天冬氨酸蛋白酶抑制剂，其具有特定的结构和物理化学特征。本发明还涉及包含这些化合物的制药组合物。本发明的化合物和制药组合物特别适用于抑制HIV-1和HIV-2蛋白酶活性，因此可作为抗HIV-1和HIV-2病毒的抗病毒剂。本发明还涉及使用本发明的化合物抑制HIV天冬氨酸蛋白酶活性的方法以及筛选具有抗HIV活性的化合物的方法。
• Method for the preparation of an N-vinyl compound
  申请人：SHIN-ETSU VINYL ACETATE CO., LTD.

  公开号：EP0703219A1

  公开（公告）日：1996-03-27

  Proposed is a novel and very efficient method for the preparation of an N-vinyl compound such as N-vinyl-2-pyrrolidone and N-vinyl-N-ethyl acetamide by the thermal decomposition of an N-(α-acyloxyethyl) compound which is a novel compound obtained by the addition reaction between an NH group-containing compound such as 2-pyrrolidone and N-ethyl acetamide and a vinyl carboxylate, e.g., vinyl acetate, in the presence of an alkali, e.g. alkali metal hydroxide. The reaction mixture after completion of this addition reaction as such, i.e. without isolating the N-(α-acyloxyethyl) compound, such as N-(α-acetoxyethyl)-2-pyrrolidone and N-(α-acetoxyethyl)-N-ethyl acetamide, is heated to effect in situ formation of the desired N-vinyl compound which can then be isolated by distillation under reduced pressure in a very high overall yield.

  本发明提出了一种非常有效的制备 N-乙烯基化合物（如 N-乙烯基-2-吡咯烷酮和 N-乙烯基-N-乙基乙酰胺）的新方法，该方法是通过热分解一种 N-(α-乙酰氧乙基)化合物来制备的，N-(α-乙酰氧乙基)化合物是由含 NH 基的化合物（如 2-吡咯烷酮和 N-乙基乙酰胺）与乙烯基羧酸酯（如乙酸乙烯酯）在碱（如碱金属氢氧化物）存在下进行加成反应而得到的一种新型化合物。完成该加成反应后的反应混合物，即不分离 N-(α-乙酰氧乙基)化合物，如 N-(α-乙酰氧乙基)-2-吡咯烷酮和 N-(α-乙酰氧乙基)-N-乙基乙酰胺，加热以就地形成所需的 N-乙烯基化合物，然后通过减压蒸馏分离，总产率非常高。
• N-(aLpha-acyloxyethyl) compound and method for the preparation thereof
  申请人：SHIN-ETSU VINYL ACETATE CO., LTD.

  公开号：EP0699664A1

  公开（公告）日：1996-03-06

  Proposed are an N-(α-acyloxyethyl) compound, e.g., N-(α-acetoxyethyl)-2-pyrrolidone, which is a novel compound and can be converted into an industrially very important N-vinyl compound, e.g., N-vinyl-2-pyrrolidone, by a thermal decomposition reaction under relatively mild conditions as well as a method for the preparation of such an N-(α-acyloxyethyl) compound. The N-(α-acyloxyethyl) compound can be synthesized in a high yield by the addition reaction of an NH group-containing compound, e.g., 2-pyrrolidone, with a vinyl carboxylate, e.g., vinyl acetate, in the presence of an alkaline compound such as alkali metal hydroxides.

  本发明提出了一种N-(α-乙酰氧乙基)化合物，例如N-(α-乙酰氧乙基)-2-吡咯烷酮，它是一种新型化合物，可在相对温和的条件下通过热分解反应转化为工业上非常重要的N-乙烯基化合物，例如N-乙烯基-2-吡咯烷酮，以及制备这种N-(α-乙酰氧乙基)化合物的方法。在碱金属氢氧化物等碱性化合物存在下，通过含 NH 基化合物（如 2-吡咯烷酮）与乙烯基羧酸酯（如乙酸乙烯酯）的加成反应，可以高产率合成 N-(α-乙酰氧乙基)化合物。
• Composition containing heterocyclic compounds and a method of lubricating an internal combustion engine
  申请人：The Lubrizol Corporation

  公开号：US10550348B2

  公开（公告）日：2020-02-04

  The present invention relates to a lubricating composition containing (a) an oil of lubricating viscosity; and (b) a compound selected from the group consisting of: (i) an ester-containing heterocycle; (ii) an amide-containing heterocycle; and (iii) a pyrimidine, wherein the ester-containing heterocycle and the amide-containing heterocycle have a hydrocarbyl group containing 6 to 40 carbon atoms. The invention further provides for a method of supplying an internal combustion engine with the lubricating composition.

  本发明涉及一种润滑组合物，其中含有(a)具有润滑粘度的油；和(b)选自以下组别的化合物：(i)含酯杂环；(ii)含酰胺杂环；和(iii)嘧啶，其中含酯杂环和含酰胺杂环具有含 6 至 40 个碳原子的烃基。本发明还提供了一种向内燃机提供润滑组合物的方法。