5-methyl-4-methylene-2-phenyl-2,4-dihydro-pyrazol-3-one | 859955-79-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 5-methyl-4-methylene-2-phenyl-2,4-dihydro-pyrazol-3-one
• 英文别名: 5-Methyl-4-methylidene-2-phenylpyrazol-3-one
• CAS: 859955-79-6
• 化学式: C₁₁H₁₀N₂O
• 分子量: 186.213
• InChiKey: WTDZQISZNKBMQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-二甲基-4-吡喃酮 、 5-methyl-4-methylene-2-phenyl-2,4-dihydro-pyrazol-3-one 在 乙酸酐 作用下， 以 neat (no solvent) 为溶剂， 反应 0.25h， 生成 4-{2,6-bis[(1E,3E)-4-dimethylaminobuta-1,3-dienyl]-4H-pyran-4-ylidene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
  参考文献：
  名称：

  包含具有不同结构的杂环部分的交叉共轭多烯的合成和构象

  摘要：

  合成了含有中心4-亚烷基取代的吡喃或N-甲基二氢吡啶环的新型非线性交叉共轭多烯。这些化合物中发色团的相互作用是通过与杂环连接的亚烷基发生的。

  DOI：

  10.1016/j.mencom.2014.11.024

文献信息

• METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND
  申请人：Motoki Masuji

  公开号：US20090240067A1

  公开（公告）日：2009-09-24

  A method of producing a compound represented by formula (1), including: allowing 1,4-benzoquinone or 1,2-benzoquinone to react with a dithiocarbamate compound represented by formula (2) in a polar solvent: wherein R 1 and R 2 each independently represent a hydrogen atom, an alkyl group, an aryl group or a heterocyclic group, R 1 and R 2 may be the same or different and may be combined with each other to form a ring, X represents an ion necessary to neutralize the charge of the molecule, m represents an integer of 1 to 2, n represents an integer of 1 to 2, M represents a hydrogen atom, a metal atom or a conjugate acid of a base, p represents an integer of 1 to 4, and q represents an integer of 1 to 4.

  一种生产由化学式（1）表示的化合物的方法，包括：允许1,4-苯醌或1,2-苯醌在极性溶剂中与由化学式（2）表示的二硫代氨基甲酸盐化合物发生反应：其中R1和R2各自独立地表示氢原子、烷基、芳基或杂环基，R1和R2可以相同也可以不同，并且可以结合在一起形成环，X表示中性化分子电荷所需的离子，m表示1至2的整数，n表示1至2的整数，M表示氢原子、金属原子或碱的共轭酸，p表示1至4的整数，q表示1至4的整数。
• Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods
  申请人：——

  公开号：US20030073712A1

  公开（公告）日：2003-04-17

  Cytoprotective compounds, many of which are phenolic derivatives characterized by a substituted phenol having certain conjugated bonds, are useful in the treatment of certain ischemic or inflammatory conditions, including but not limited to stroke, myocardial infarction, congestive heart failure, and skin disorders characterized by inflammation or oxidative damage. They are also useful in the manufacture of pharmaceutical and cosmetic formulations for the treatment of such conditions.

  细胞保护化合物，其中许多是酚类衍生物，其特点是具有特定共轭键的取代酚，对于治疗某些缺血或炎症性疾病非常有用，包括但不限于中风、心肌梗死、充血性心力衰竭以及以炎症或氧化损伤为特征的皮肤疾病。它们还可用于制造用于治疗这些疾病的药物和化妆品配方。
• N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS
  申请人：SCHMITZ Ulrich Franz

  公开号：US20070265262A1

  公开（公告）日：2007-11-15

  Disclosed are compounds having Formula (I) and the compositions and methods relating to these compounds, for treating or preventing a viral infection mediated at least in part by a virus in the Flaviviridae family of viruses, wherein A, R 2 , m, R, V, W, T, Z, R 1 , Y, and p are disclosed herein.

  本发明涉及一种具有公式（I）的化合物以及与这些化合物相关的组合物和方法，用于治疗或预防由Flaviviridae病毒家族中的病毒至少部分介导的病毒感染，其中A，R2，m，R，V，W，T，Z，R1，Y和p已在此处公开。
• Pyrazolone-azo colourant compounds
  申请人：Xerox Corporation

  公开号：EP1985667A2

  公开（公告）日：2008-10-29

  Disclosed is a compound of the formula and dimers thereof, wherein R, R', X, (Y)m, and (Z)n are as defined herein. The compounds are useful as colorants, particularly in applications such as phase change inks.

  公开了一种式如下的化合物 及其二聚体，其中 R、R'、X、(Y)m 和 (Z)n 如本文所定义。这些化合物可用作着色剂，特别是在相变油墨等应用中。
• Photoelectric conversion material, film containing the material, photoelectric conversion device, production method thereof, photosensor, imaging device and their use methods
  申请人：Fujifilm Corporation

  公开号：EP2292586A2

  公开（公告）日：2011-03-09

  A compound represented by the following formula (I), and a photoelectric conversion device containing the compound: wherein Z1 is a ring containing two carbon atoms and represents a 5-membered ring, a 6-membered ring or a condensed ring containing at least either a 5-membered ring or a 6-membered ring, each of L1, L2 and L3 independently represents an unsubstituted methane group or a substituted methine group, n represents an integer of 0 or more, each of R1, R2, R3, R4, R5 and R6 independently represents a hydrogen atom or a substituent, R1 and R2, R2 and R3, R4 and R5, or R5 and R6 may be combined with each other to form a ring, and each of R21 and R22 independently represents a substituted aryl group, an unsubstituted aryl group, a substituted heteroaryl group or an unsubstituted heteroaryl group, provided that the case where both R21 and R22 are an unsubstituted phenyl group is excluded.

  下式 (I) 所代表的化合物，以及含有该化合物的光电转换装置： 其中 Z1 是含有两个碳原子的环，代表 5 元环、6 元环或至少含有一个 5 元环或一个 6 元环的缩合环，L1、L2 和 L3 各自独立地代表未取代的甲烷基团或取代的甲基，n 代表 0 或以上的整数，R1、R2、R3、R4、R5 和 R6 各自独立地代表氢原子或取代基、R1和R2、R2和R3、R4和R5或R5和R6可相互结合形成一个环，R21和R22各自独立地代表取代的芳基、未取代的芳基、取代的杂芳基或未取代的杂芳基，但不包括R21和R22均为未取代的苯基的情况。