3-hydroxy-4-[(5-hydroxy-1-phenyl-3-propyl)pyrazol-4-yl]cyclobutene-1,2-dione | 874131-15-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-hydroxy-4-[(5-hydroxy-1-phenyl-3-propyl)pyrazol-4-yl]cyclobutene-1,2-dione
• 英文别名: 3-hydroxy-4-(5-hydroxy-1-phenyl-3-propylpyrazol-4-yl)cyclobutene-1,2-dione
• CAS: 874131-15-4
• 化学式: C₁₆H₁₄N₂O₄
• 分子量: 298.298
• InChiKey: MFQURSCFFIKQOK-UHFFFAOYSA-N

物化性质

• 沸点：
  529.2±60.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  92.42
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-hydroxy-4-[(5-hydroxy-1-phenyl-3-propyl)pyrazol-4-yl]cyclobutene-1,2-dione 、 N,N-二乙基对苯二胺 以 甲苯 、 正丁醇 为溶剂， 生成 3-hydroxy-4-(5-hydroxy-l-phenyl-3-propylpyrazol-4-yl)cyclobutene-1,2-dione
  参考文献：
  名称：

  EP1698916

  摘要：

  公开号：
• 作为产物：
  描述：

  3,4-二甲氧基-3-环丁烯-1,2-二酮 、 2-苯基-5-丙基-2,4-二氢-3H-吡唑-3-酮 在 potassium carbonate 、 水 作用下， 以 甲醇 为溶剂， 反应 6.0h， 生成 3-hydroxy-4-[(5-hydroxy-1-phenyl-3-propyl)pyrazol-4-yl]cyclobutene-1,2-dione
  参考文献：
  名称：

  [EN] SQUARYLIUM COMPOUND, PHOTOELECTRIC CONVERSION MATERIAL USING SAME, PHOTOELECTRIC CONVERTER AND PHOTOELECTROCHEMICAL CELL
  [FR] COMPOSE DE SQUARYLIUM, MATERIAU DE CONVERSION PHOTOELECTRIQUE UTILISANT LEDIT COMPOSE, CONVERTISSEUR PHOTOELECTRIQUE ET CELLULE PHOTOELECTROCHIMIQUE

  摘要：

  本发明涉及一种由下式（I）表示的方苯基化合物（其中R1和R3可以相同或不同，分别表示氢原子，可选取代的烷基或类似物；R2表示氢原子，羧基，磺酸基或类似物；R4表示氢原子，羟基，卤素原子，可选取代的氨基或类似物；m表示0-2的整数；X表示氮原子或氧原子；Y表示氮原子，氧原子或硫原子；A表示酸性基团；n表示1-3的整数；当n为2或3时，A可以相同或不同）。本发明还涉及一种包含此类方苯基化合物和半导体的光电转换材料。

  公开号：

  WO2005121127A1

文献信息

• FILTER FOR ELECTRONIC DISPLAY
  申请人：Kyowa Hakko Chemical Co., Ltd.

  公开号：EP1698916A1

  公开（公告）日：2006-09-06

  The present invention provides a filter for electronic display devices, comprising a squarylium compound represented by General Formula (I): [wherein X represents a group represented by following Formula (A): (wherein R1, R2, R3, and R4 may be the same or different and each represents a hydrogen atom, a halogen atom and the like; and R5 and R6 may be the same or different and each represent a hydrogen atom, an alkyl group optionally having subsutituent(s) and the like) and the like; and Y represents a group represented by following Formula (C): (wherein R9 represents a halogen atom, an alkyl group optionally having subsutituent(s) and the like; and R10 represents a hydrogen atom, an alkyl group optionally having subsutituent(s) and the like) and the like, and "n" represents an integer of 0 to 5].

  本发明提供了一种用于电子显示设备的滤波器，由通式 (I) 所代表的鳞片状化合物组成： [其中 X 代表下式（A）所代表的基团： (其中 R1、R2、R3 和 R4 可以相同或不同，且各自代表氢原子、卤素原子等；R5 和 R6 可以相同或不同，且各自代表氢原子、任选具有亚取代基的烷基等）等；以及 Y 代表下式（C）所代表的基团： (其中 R9 代表卤素原子、任选具有亚基的烷基等；R10 代表氢原子、任选具有亚基的烷基等）等，"n "代表 0 至 5 的整数]。
• OPTICAL FILTER
  申请人：Kyowa Hakko Chemical Co., Ltd.

  公开号：EP1813651A1

  公开（公告）日：2007-08-01

  The present invention provides optical filters comprising a squarylium compound represented by General Formula (I): [wherein R1 and R2 may be the same or different and each represents a hydrogen atom, an alkyl group optionally having substituent(s) or the like, R3 represents a hydrogen atom or an alkyl group optionally having substituent(s), and Y represents a group represented by General Formula (A): (wherein R4 represents a hydrogen atom, an alkyl group optionally having substituent(s) or the like, R5 represents a hydrogen atom, a halogen atom or the like, and R6, R7, R8 and R9 may be the same or different and each represents a hydrogen atom, a halogen atom, an alkyl group optionally having substituent(s) or the like)] and the like.

  本发明提供了由通式 (I) 所代表的鳞片状化合物组成的滤光片： [其中 R1 和 R2 可以相同或不同，各自代表氢原子、可选具有取代基的烷基或类似物，R3 代表氢原子或可选具有取代基的烷基，Y 代表通式（A）所代表的基团： (其中 R4 代表氢原子、任选具有取代基的烷基或类似基团，R5 代表氢原子、卤素原子或类似基团，R6、R7、R8 和 R9 可以相同或不同，且各自代表氢原子、卤素原子、任选具有取代基的烷基或类似基团）]等。
• EP1813651
  申请人：——

  公开号：——

  公开（公告）日：——
• EP1808464
  申请人：——

  公开号：——

  公开（公告）日：——
• Filters for electronic display devices
  申请人：Shimizu Ikuo

  公开号：US20070105988A1

  公开（公告）日：2007-05-10

  The present invention provides a filter for electronic display devices, comprising a squarylium compound represented by General Formula (I): [wherein X represents a group represented by following Formula (A): (wherein R 1 , R 2 , R 3 , and R 4 may be the same or different and each represents a hydrogen atom, a halogen atom and the like; and R 5 and R 6 may be the same or different and each represent a hydrogen atom, an alkyl group optionally having substituent(s) and the like) and the like; and Y represents a group represented by following Formula (C): (wherein R 9 represents a halogen atom, an alkyl group optionally having substituent(s) and the like; and R 10 represents a hydrogen atom, an alkyl group optionally having substituent(s) and the like) and the like, and “n” represents an integer of 0 to 5].