cyclopyrrolone | 54036-77-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: cyclopyrrolone
• 英文别名: 2-azacyclopenta-2,4-dienone；2-pyrrolidinone；2-oxo-pyrrol；2H-Pyrrol-2-one；pyrrol-2-one
• CAS: 54036-77-0
• 化学式: C₄H₃NO
• 分子量: 81.0739
• InChiKey: VIXWGKYSYIBATJ-UHFFFAOYSA-N

物化性质

• 沸点：
  159.5±23.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  、 cyclopyrrolone 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以756 mg的产率得到
  参考文献：
  名称：

  WO2023/284833

  摘要：

  公开号：
• 作为产物：
  描述：

  acetic acid 5-oxo-2,5-dihydro-1H-pyrrol-2-yl ester 350.0 ℃ 、0.0 Pa 条件下， 生成 cyclopyrrolone
  参考文献：
  名称：

  Generation, Direct Observation under Matrix Isolation Conditions, and ab Initio Calculations for 2-Azacyclopenta-2,4-dien-1-one

  摘要：

  Flash vacuum pyrolysis of a mixture of-argon and 5-acetoxy-1,5-dihydro-2H-pyrrol-2-one at 350 degrees C and condensation of the pyrolysate onto a cold plate at 12 K produces acetic acid and 2-azacyclopenta-2,4-dien-1-one (2H-pyrrol-2-one, 2), identified by IR spectroscopy. Ab initio calculations for 2 and cyclopentadienone at the MP2/6-31G** level successfully reproduce the observed IR spectra. Photochemically 2 is converted to acetylene, HCN, and CO. Attempts to chemically trap 2 have so far been unsuccessful.

  DOI：

  10.1021/j100043a027

文献信息

• Synthetic routes to a family of Mn–Ce heterometallic clusters
  作者：Anastasios J. Tasiopoulos、Abhudaya Mishra、George Christou

  DOI：10.1016/j.poly.2006.10.042

  日期：2007.6

  the reaction of Mn II salts or preformed Mn clusters with Ce IV reagents. The products may be divided into three general classes on the basis of the Mn and Ce oxidation states, Mn IV –Ce IV ,M n III –Ce IV , and Mn III –Ce III/IV . All Mn IV –Ce IV compounds were prepared by addition of Ce IV to Mn II salts, whereas all Mn III –Ce IV and Mn III –Ce III/IV clusters were prepared by addition of Ce IV

  描述了合成方法，这些方法导致制备了几种混合金属Mn-Ce团簇。所述方法涉及Mn II盐或预先形成的Mn簇与Ce IV试剂的反应。根据Mn和Ce的氧化态，可将产品分为三大类，即Mn IV -Ce IV，Mn III -Ce IV和Mn III -Ce III / IV。所有Mn IV -Ce IV化合物都是通过将Ce IV添加到Mn II盐中而制得的，而所有Mn III -Ce IV和Mn III -Ce III / IV簇是通过将Ce IV添加到含Mn III的簇中来制备的。所有混合的Mn-Ce团簇都具有美观的结构，其中一些还具有令人感兴趣的磁性。
• Analogs of cytochalasin B as radiopharmaceuticals for nuclear imaging of
  申请人：The Regents of the University of California

  公开号：US05342926A1

  公开（公告）日：1994-08-30

  Analogs of cytochalasin B are used as radiopharmaceuticals to provide an image for the nuclear imaging of glucose transport across cell membranes. Like cytochalasin B, the analogs bind specifically to glucose transport protein, and in doing so, serve as markers indicating the amount of glucose transport protein present on the surfaces of cells. The analogs differ from cytochalasin B by the inclusion of a radionuclide in the region of the terminal phenyl group on cytochalasin B, where the radionuclide does not interfere with the binding specificity of the analog. Disclosed herein are such analogs as well as analogs with which readily accept radionuclides at the desired location on the structure, either by conjugation or substitution.

  细胞毒霉素B的类似物被用作放射性药物，用于提供细胞膜上葡萄糖转运的核医学成像。类似于细胞毒霉素B，这些类似物专门结合葡萄糖转运蛋白，从而作为标记物指示细胞表面上存在的葡萄糖转运蛋白的数量。这些类似物与细胞毒霉素B的区别在于，在细胞毒霉素B末端苯基区域包含放射性核素，其中放射性核素不会干扰类似物的结合特异性。本文介绍了这些类似物以及可通过共轭或取代在所需位置上容易接受放射性核素的类似物。
• Novel Lactams
  申请人：Kumar Naresh

  公开号：US20130190377A1

  公开（公告）日：2013-07-25

  The present invention relates to novel lactams of formulae (I) and (II). The present invention further relates to the use of these compounds in the treatment of microbial infections and microbial contamination of surfaces, particularly infections and surface contaminations characterised by biofilm formation. Further provided are compounds of formula (I) and (II) substituted with acrylate or methacrylate groups and their attachment to surfaces or polymers to inhibit microbial contamination.

  本发明涉及式(I)和式(II)的新型内酰胺。本发明还涉及使用这些化合物治疗微生物感染和表面微生物污染，特别是以生物膜形成为特征的感染和表面污染。还提供了式(I)和式(II)的化合物，其被丙烯酸酯或甲基丙烯酸酯基取代，并将它们附着在表面或聚合物上以抑制微生物污染。
• GAVINA, FRANCISCO;COSTERO, ANA M.;ANDREU, M. ROSARIO;LUIS, SANTIAGO V., J. ORG. CHEM., 53,(1988) N6, C. 6112-6113
  作者：GAVINA, FRANCISCO、COSTERO, ANA M.、ANDREU, M. ROSARIO、LUIS, SANTIAGO V.

  DOI：——

  日期：——
• Generation, Direct Observation under Matrix Isolation Conditions, and ab Initio Calculations for 2-Azacyclopenta-2,4-dien-1-one
  作者：Dana Lyn S. Yokotsuji、William P. Dailey、Andrew S. Kende、Liviu Birzan、Kun Liu

  DOI：10.1021/j100043a027

  日期：1995.10

  Flash vacuum pyrolysis of a mixture of-argon and 5-acetoxy-1,5-dihydro-2H-pyrrol-2-one at 350 degrees C and condensation of the pyrolysate onto a cold plate at 12 K produces acetic acid and 2-azacyclopenta-2,4-dien-1-one (2H-pyrrol-2-one, 2), identified by IR spectroscopy. Ab initio calculations for 2 and cyclopentadienone at the MP2/6-31G** level successfully reproduce the observed IR spectra. Photochemically 2 is converted to acetylene, HCN, and CO. Attempts to chemically trap 2 have so far been unsuccessful.