2-(4-氯-2-丁烯-1-基)-1H-异吲哚-1,3(2H)-二酮 | 31645-84-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 中文名称: 2-(4-氯-2-丁烯-1-基)-1H-异吲哚-1,3(2H)-二酮
• 中文别名: (Z)-2-(4-氯丁-2-烯-1-基)异二氢吲哚-1,3-二酮
• 英文名称: N-(4-Chlor-2-butenyl)-phthalimid
• 英文别名: N-(4-chloro-but-2-enyl)-phthalimide；2-(4-Chlorobut-2-enyl)isoindole-1,3-dione
• CAS: 31645-84-8
• 化学式: C₁₂H₁₀ClNO₂
• 分子量: 235.67
• InChiKey: VSGHWUAHVBTJIU-UHFFFAOYSA-N

物化性质

• 沸点：
  374.2±35.0 °C(Predicted)
• 密度：
  1.322±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2925190090

反应信息

• 作为反应物：
  描述：

  2-(4-氯-2-丁烯-1-基)-1H-异吲哚-1,3(2H)-二酮 在 tris(dibenzylideneacetone)dipalladium (0) 三丁基膦 、 甲酸铵 作用下， 以 甲苯 为溶剂， 以95%的产率得到N-(4-烯丁基)邻苯二甲酰亚胺
  参考文献：
  名称：

  Hughes, Gregory; Lautens, Mark; Wu, Jingxiao, Synlett, 2000, # 6, p. 835 - 837

  摘要：

  DOI：
• 作为产物：
  描述：

  1,4-二氯-2-丁烯 、 potassium phtalimide 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以71%的产率得到2-(4-氯-2-丁烯-1-基)-1H-异吲哚-1,3(2H)-二酮
  参考文献：
  名称：

  Hughes, Gregory; Lautens, Mark; Wu, Jingxiao, Synlett, 2000, # 6, p. 835 - 837

  摘要：

  DOI：

文献信息

• Structurally rigid dopamine d3 receptor selective ligands and process for making them
  申请人：Newman Amy

  公开号：US20060106030A1

  公开（公告）日：2006-05-18

  A family of structurally rigid dopamine D3 receptor selective ligands is described. The family of structurally rigid dopamine D3 receptor selective ligands has the formula wherein A is cis or trans —CH═CH—, —C═C—, or cyclohexyl. B is cis or trans —CH═CH— or absent. R1 represents an optionally substituted phenyl group, wherein said substituents are selected from the group consisting of: hydrogen, halogen, amino, nitro, hydroxyl, alkoxy, alkyl, acyl and pyridyl, and said substitution may occur at any of the ortho, meta, or para positions, or R1 represents a heteroaromatic ring. A preferred heteroaromatic ring is indole, quinoxoline, pyridyl, pyrimidyl, or imidazole. R2 and R3 may be independently hydrogen or a halogen, or R2 alone may be C1, C2, or C3 alkoxy, and m is 1 or 2, and n is 0, 1, or 2.

  描述了一类结构刚性的多巴胺D3受体选择性配体。该结构刚性的多巴胺D3受体选择性配体的化学式为：其中，A为顺式或反式的—CH═CH—、—C═C—或环己基，B为顺式或反式的—CH═CH—或不存在。R1代表一个可选取代的苯基，其中所述取代基被选自以下组：氢、卤素、氨基、硝基、羟基、烷氧基、烷基、酰基和吡啶基，所述取代可以出现在邻、间或对位，或者R1代表一个杂环芳环。一个优选的杂环芳环是吲哚、喹啉、吡啶基、嘧啶基或咪唑基。R2和R3可以独立地为氢或卤素，或者R2单独为C1、C2或C3烷氧基，m为1或2，n为0、1或2。
• Substituted N-[.omega.-(1H-imidazol-1-yl)alkyl]-amides
  申请人：American Cyanamid Company

  公开号：US04489089A1

  公开（公告）日：1984-12-18

  This disclosure describes novel N-[.omega.-(1H-imidazol-1-yl)alkyl]amides which possess the property of inhibiting the enzyme thromboxane synthetase.

  本公开说明了一种新型的N-[.omega.-(1H-咪唑-1-基)烷基]酰胺，具有抑制酶血栓素合酶的特性。
• N-[2-4-(1H-Imidazol-1-yl)alkyl]-arylamides and pharmaceutical
  申请人：American Cyanamid Company

  公开号：US04568687A1

  公开（公告）日：1986-02-04

  This disclosure describes novel N-[.omega.-(1H-imidazol-1-yl)alkyl]arylamides which possess the property of inhibiting the enzyme thromboxane synthetase and are also useful in the treatment of hypertension and myocardial ischemia.

  本公开说明了一种新型的N-[.omega.-(1H-咪唑-1-基)烷基]芳基酰胺，具有抑制血栓素合成酶酶活性的特性，并且在治疗高血压和心肌缺血方面也是有用的。
• STRUCTURALLY RIGID DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND PROCESS FOR MAKING THEM
  申请人：Newman Amy

  公开号：US20100068138A1

  公开（公告）日：2010-03-18

  A family of structurally rigid dopamine D3 receptor selective ligands is described. The family of structurally rigid dopamine D3 receptor selective ligands has the formula wherein A is cis or trans —CH═CH—, —C═C—, or cyclohexyl. B is cis or trans —CH═CH— or absent. R1 represents an optionally substituted phenyl group, wherein said substituents are selected from the group consisting of: hydrogen, halogen, amino, nitro, hydroxyl, alkoxy, alkyl, acyl and pyridyl, and said substitution may occur at any of the ortho, meta, or para positions, or R1 represents a heteroaromatic ring. A preferred heteroaromatic ring is indole, quinoxoline, pyridyl, pyrimidyl, or imidazole. R2 and R3 may be independently hydrogen or a halogen, or R2 alone may be C1, C2, or C3 alkoxy, and m is 1 or 2, and n is 0, 1, or 2.

  描述了一类结构刚性的多巴胺D3受体选择性配体。该结构刚性的多巴胺D3受体选择性配体的化学式如下：其中A为顺式或反式-CH═CH—、—C═C—或环己基；B为顺式或反式-CH═CH—或不存在；R1代表一个可选取代的苯基，其中所述取代基选自羟基、卤素、氨基、硝基、烷氧基、烷基、酰基和吡啶基，所述取代可以出现在任何邻、间或对位，或者R1代表一个杂环芳烃环，其中优选的杂环芳烃环为吲哚、喹啉、吡啶基、嘧啶基或咪唑基。R2和R3可以独立地是氢或卤素，或者R2单独可以是C1、C2或C3的烷氧基，m为1或2，n为0、1或2。
• Structurally rigid dopamine D3 receptor selective ligands and process for making them
  申请人：The United States of America as represented by the Secretary of the Department of Health and Human Services

  公开号：US08119642B2

  公开（公告）日：2012-02-21

  A family of structurally rigid dopamine D3 receptor selective ligands is described. The family of structurally rigid dopamine D3 receptor selective ligands has the formula wherein A is cis or trans —CH═CH—, —C═C—, or cyclohexyl. B is cis or trans —CH═CH— or absent. R1 represents an optionally substituted phenyl group, wherein said substituents are selected from the group consisting of: hydrogen, halogen, amino, nitro, hydroxyl, alkoxy, alkyl, acyl and pyridyl, and said substitution may occur at any of the ortho, meta, or para positions, or R1 represents a heteroaromatic ring. A preferred heteroaromatic ring is indole, quinoxoline, pyridyl, pyrimidyl, or imidazole. R2 and R3 may be independently hydrogen or a halogen, or R2 alone may be C1, C2, or C3 alkoxy, and m is 1 or 2, and n is 0, 1, or 2.

  描述了一类结构刚性的多巴胺D3受体选择性配体。该结构刚性的多巴胺D3受体选择性配体的化学式如下：其中A为顺式或反式—CH═CH—、—C═C—或环己基；B为顺式或反式—CH═CH—或不存在；R1表示可选取代的苯基，所述取代基选自羟基、卤素、氨基、硝基、烷氧基、烷基、酰基和吡啶基，且该取代基可以出现在邻、间或对位上，或者R1表示杂环芳基。优选的杂环芳基为吲哚、喹啉、吡啶基、嘧啶基或咪唑基。R2和R3可独立地为氢或卤素，或者仅R2为C1、C2或C3的烷氧基，m为1或2，n为0、1或2。