2-Oxo-cyclopentancarbonsaeure-p-toluidid | 96447-05-1

• 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: 2-Oxo-cyclopentancarbonsaeure-p-toluidid
• 英文别名: N-p-Tolyl-2-oxo-cyclopentan-carbonsaeure-(1)-amid；2-oxo-cyclopentanecarboxylic acid p-toluidide；2-Hydroxy-cyclopenten-(1)-carbonsaeure-(1)-p-toluidid；N-(4-methylphenyl)-2-oxocyclopentane-1-carboxamide
• CAS: 96447-05-1
• 化学式: C₁₃H₁₅NO₂
• 分子量: 217.268
• InChiKey: IOUMQHHEOKDODN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Oxo-cyclopentancarbonsaeure-p-toluidid 在 劳森试剂 、 甲醇 、 硫酸 、 magnesium 作用下， 以 乙二醇二甲醚 为溶剂， 生成
  参考文献：
  名称：

  Dihydroquinolines as Novel n-NOS Inhibitors

  摘要：

  Dihydroquinolines have been synthesized and have been shown to be potent n-NOS inhibitors. Selectivity versus e-NOS was increased to approximately 100-fold through appropriate substitution at the benzene ring. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00481-x
• 作为产物：
  描述：

  N-(1-环戊烯基)吗啉 、 对甲苯异氰酸酯 以 氯仿 为溶剂， 生成 2-Oxo-cyclopentancarbonsaeure-p-toluidid
  参考文献：
  名称：

  Dihydroquinolines as Novel n-NOS Inhibitors

  摘要：

  Dihydroquinolines have been synthesized and have been shown to be potent n-NOS inhibitors. Selectivity versus e-NOS was increased to approximately 100-fold through appropriate substitution at the benzene ring. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00481-x

文献信息

• Construction of Complex 1,3-Cyclohexadienes via Phosphine-Catalyzed (4 + 2) Annulations of δ-Acetoxy Allenoates and Ketones
  作者：Yuwen Zhang、Xiaofeng Tong

  DOI：10.1021/acs.orglett.7b02787

  日期：2017.10.6

  The phosphine-catalyzed substrate-dependent (4 + 2) annulations of δ-acetoxy allenoates with ketones is described. Allenoates 1 with an alkyl substituent at δC are able to react with cyclic 1,3-diketones 2, wherein the δC is attacked by the methenyl carbon of 2 while the αC attacks the ketone of 2. Allenoates 5 with an aryl group at δC is poised to react with cyclic β-carbonyl amides 6, in which the

  描述了膦催化的δ-乙酰氧基烯丙酸酯与酮的底物依赖性（4 + 2）环。在δC处具有烷基取代基的脲基甲酸酯1能够与环状1,3-二酮2反应，其中δC受到2的亚甲基碳的攻击，而αC侵袭2的酮。可以与环状β-羰基酰胺6反应，其中αC受到6的亚甲基碳的攻击，而δC经过1,2加成至6的酮。
• Usual and unusual reactions of cyclohexane-1,2-dione with aryl azides and amines: a structural corrigendum
  作者：Neeraj Singh、Klaus Banert

  DOI：10.1039/c6nj03835b

  日期：——

  The reported syntheses of alleged functionalised 1,2,3-triazines from cyclohexane-1,2-dione and aryl azides, in the presence of pyrrolidine and other amines, were repeated. The products do not contain the bicyclic triazine and bicyclic ketone moieties; instead, cyclohexane-fused 4,5-dihydro-1,2,3-triazoles and monocyclic β-ketoamides were obtained, respectively. These corrections are well supported

  重复报道的在吡咯烷和其他胺存在下由环己烷-1,2-二酮和芳基叠氮化物合成所谓的官能化的1,2,3-三嗪的过程。该产品不含双环三嗪和双环酮部分；取而代之的是，分别获得了环己烷稠合的4,5-二氢-1,2,3-三唑和单环β-酮酰胺。通过对NMR光谱，IR光谱，元素分析以及与先前已在文献中发表的数据进行仔细分析，很好地支持了这些校正。讨论了用于观察化合物合成的合适机理。
• Ahmad; Desai, Proceedings - Indian Academy of Sciences, Section A, 1937, vol. 5, p. 543,548
  作者：Ahmad、Desai

  DOI：——

  日期：——
• Jaeger,G., Chemische Berichte, 1972, vol. 105, p. 137 - 149
  作者：Jaeger,G.

  DOI：——

  日期：——
• Brown et al., Journal of the Chemical Society, 1961, p. 4296
  作者：Brown et al.

  DOI：——

  日期：——