2,3-dicyanobenzaldehyde | 129221-76-7

• 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: 2,3-dicyanobenzaldehyde
• 英文别名: 3-Formylbenzene-1,2-dicarbonitrile
• CAS: 129221-76-7
• 化学式: C₉H₄N₂O
• 分子量: 156.144
• InChiKey: ZIMDAKBCOAZMNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3-dicyanobenzaldehyde 在 水 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 0.5h， 以100%的产率得到7-Cyano-2,3-dihydro-3-hydroxy-1H-isoindol-1-one
  参考文献：
  名称：

  异吲哚的化学。2,3-二氰基苯甲醛新合成各种功能化异吲哚

  摘要：

  通过合成通用的 2,3-二氰基苯甲醛与各种亲核试剂的新反应，合成了在吡咯或苯环上具有羰基、亚氨基、氰基、甲酰基和羟甲基基团的各种异吲哚。通过与硼氢化钠和肼的再循环，将获得的异吲哚进一步转化为一些官能化的异吲哚和酞嗪。而 N-(2,3-二氰基苯亚甲基)苯胺是将 2,3-二氰基苯甲醛与苯胺衍生物在液氨或二乙胺中与元素硫反应得到 7-氰基-2,3-二氢-3-(4-取代的苯基亚氨基)-1H-isoindole-1-thiones，在相的存在下通过烷基卤化物将其转化为 3-烷硫基-4-氰基-N-(4-取代苯基)-1H-isoindol-1-亚胺-转移催化剂。

  DOI：

  10.1246/bcsj.63.1160
• 作为产物：
  描述：

  3-((2,2-dimethylhydrazono)methyl)phthalonitrile 在 盐酸 作用下， 以 乙腈 为溶剂， 以98%的产率得到2,3-dicyanobenzaldehyde
  参考文献：
  名称：

  异吲哚的化学。2,3-二氰基苯甲醛新合成各种功能化异吲哚

  摘要：

  通过合成通用的 2,3-二氰基苯甲醛与各种亲核试剂的新反应，合成了在吡咯或苯环上具有羰基、亚氨基、氰基、甲酰基和羟甲基基团的各种异吲哚。通过与硼氢化钠和肼的再循环，将获得的异吲哚进一步转化为一些官能化的异吲哚和酞嗪。而 N-(2,3-二氰基苯亚甲基)苯胺是将 2,3-二氰基苯甲醛与苯胺衍生物在液氨或二乙胺中与元素硫反应得到 7-氰基-2,3-二氢-3-(4-取代的苯基亚氨基)-1H-isoindole-1-thiones，在相的存在下通过烷基卤化物将其转化为 3-烷硫基-4-氰基-N-(4-取代苯基)-1H-isoindol-1-亚胺-转移催化剂。

  DOI：

  10.1246/bcsj.63.1160

文献信息

• [EN] PRODUCTION OF XYLENE DERIVATIVES<br/>[FR] PRODUCTION DE DÉRIVÉS DE XYLÈNE
  申请人：RHODIA OPERATIONS

  公开号：WO2017097220A1

  公开（公告）日：2017-06-15

  The present invention relates to the production of xylene derivatives from furfural and its derivatives. The invention describes new routes for converting furfural and its derivatives into xylene derivatives including novel intermediates.

  本发明涉及从糠醛及其衍生物生产二甲苯衍生物。该发明描述了将糠醛及其衍生物转化为二甲苯衍生物的新路线，包括新颖的中间体。
• DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS
  申请人：Matsuyama Hironori

  公开号：US20100004438A1

  公开（公告）日：2010-01-07

  An object of the present invention is to provide a medicinal drug much improved in anti tumor activity and excellent in safety. According to the present invention, there is provided a medicinal drug containing a compound represented by the following general formula (1) or a salt thereof as an active ingredient: [Formula 1] wherein X 1 represents a nitrogen atom or a group —CH═, R 1 represents a group -Z-R 6 , in which Z represents a group —CO—, a group —CH(OH)— or the like, R 6 represents a 5- to 15-membered monocyclic, dicyclic or tricyclic saturated or unsaturated heterocyclic group having 1 to 4 nitrogen atoms, oxygen atoms or sulfur atoms, R 2 represents a hydrogen atom or a halogen atom, Y represents a group —O—, a group —CO—, a group —CH(OH)— or a lower alkylene group, and A represents [Formula 2] wherein R 3 represents a hydrogen atom, a lower alkoxy group or the like, p represents 1 or 2, R 4 represents an imidazolyl lower alkyl group or the like.

  本发明的一个目的是提供一种在抗肿瘤活性方面大大改进且安全性优异的药物。根据本发明，提供了一种包含以下一般式（1）所表示的化合物或其盐作为活性成分的药物：[式1]其中X1代表氮原子或基团—CH═，R1代表一个基团-Z-R6，其中Z代表基团—CO—，基团—CH(OH)—或类似的基团，R6代表一个含有1至4个氮原子、氧原子或硫原子的5至15个成员的单环、双环或三环饱和或不饱和杂环基团，R2代表氢原子或卤原子，Y代表基团—O—，基团—CO—，基团—CH(OH)—或低碳烷基基团，A代表[式2]其中R3代表氢原子、低碳氧基基团或类似基团，p代表1或2，R4代表咪唑基低碳基团或类似基团。
• Aromatic Compounds
  申请人：Fukushima Tae

  公开号：US20070270422A1

  公开（公告）日：2007-11-22

  The present invention provides a novel compound, which has an excellent effect of suppressing the generation of collagen and less side effects, with being excellent in terms of safety. The compound of the present invention is represented by the following general formula (1): [wherein X 1 represents a nitrogen atom or a group —CH═; R 1 represents a group -Z-R 6 , wherein Z represents a group —CO—, a group —CH(OH)—, or the like, and R 6 represents a 5- to 15-membered monocyclic, dicyclic, or tricyclic, saturated or unsaturated heterocyclic group having 1 to 4 nitrogen atoms, oxygen atoms, or sulfur atoms; R 2 represents a hydrogen atom, a halogen atom or a lower alkylene group; Y represents a group —O—, a group —CO—, a group —CH(OH)—, a lower alkylene group, or the like; and A represents a group or the like, wherein R 3 represents a hydrogen atom, a lower alkoxy group, or the like, p represents 1 or 2, and R 4 represents an imidazolyl lower alkyl group or the like.

  本发明提供了一种新型化合物，具有抑制胶原生成的优异效果，并且具有较少的副作用，在安全性方面表现出色。本发明的化合物由以下通式（1）表示：[其中X1代表氮原子或基团—CH═；R1代表基团-Z-R6，其中Z代表基团—CO—、基团—CH(OH)—或类似基团，而R6代表具有1到4个氮原子、氧原子或硫原子的5-到15元的单环、双环或三环、饱和或不饱和杂环基团；R2代表氢原子、卤素原子或低碳链基团；Y代表基团—O—、基团—CO—、基团—CH(OH)—、低碳链基团或类似基团；A代表基团或类似基团，其中R3代表氢原子、低碳醚基团或类似基团，p代表1或2，而R4代表咪唑基低碳基团或类似基团。
• HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF
  申请人：Sumida Takumi

  公开号：US20100261720A1

  公开（公告）日：2010-10-14

  The present invention provides a heterocyclic compound represented by General Formula (1): wherein R 1 is a group R 5 —Z 1 —, etc., Z 1 is a lower alkylene group, etc., and R 5 is a group represented by General Formula; wherein R 13 is a hydrogen atom, etc., m is an integer from 1 to 5; R 2 is a hydrogen atom: Y is CH or N: A 1 is a heterocyclic ring selected from the group consisting of indolediyl groups, wherein the heterocyclic ring may have at least one substituent: T is a group —CO—, etc.: R 3 is a hydrogen atom, etc.: R 4 is a lower alkyl group optionally substituted by one or more hydroxy groups, etc.: R 3 and R 4 , together with the nitrogen atom to which they bind, may bind to each other and form a 5- to 10-membered saturated heterocyclic ring, wherein the heterocyclic ring may have at least one substituent. The heterocyclic compound of the present invention has excellent effects of suppressing the production of collagen and/or treating tumors.

  本发明提供一种由通式(1)表示的杂环化合物：其中R1为R5-Z1-等基团，Z1为低碳烷基等，而R5则为通式所表示的基团；其中R13为氢原子等，m为1到5的整数；R2为氢原子；Y为CH或N；A1为选自吲哚二基基团等的杂环环；其中该杂环环可以具有至少一个取代基；T为-CO-等基团；R3为氢原子等；R4为低碳基基团，可以选择性地被一个或多个羟基取代等；R3和R4与它们所结合的氮原子一起可以结合成一个5-到10-成员的饱和杂环环，其中该杂环环可以具有至少一个取代基。本发明的杂环化合物具有抑制胶原蛋白产生和/或治疗肿瘤的优异效果。
• AROMATIC COMPOUND
  申请人：FUKUSHIMA Tae

  公开号：US20120238750A1

  公开（公告）日：2012-09-20

  The compound of the present invention is represented by the following general formula (1): [wherein X 1 represents a nitrogen atom or a group —CH═; R 1 represents a group —Z—R 6 , wherein Z represents a group —CO—, a group —CH(OH)—, or the like, and R 6 represents a 5- to 15-membered monocyclic, dicyclic, or tricyclic, saturated or unsaturated heterocyclic group having 1 to 4 nitrogen atoms, oxygen atoms, or sulfur atoms; R 2 represents a hydrogen atom, a halogen atom or a lower alkylene group; Y represents a group —O—, a group —CO—, a group —CH(OH)—, a lower alkylene group, or the like; and A represents a group or the like, wherein R 3 represents a hydrogen atom, a lower alkoxy group, or the like, p represents 1 or 2, and R 4 represents an imidazolyl lower alkyl group or the like.

  本发明的化合物由以下通式（1）表示：[其中X1表示氮原子或基团—CH═; R1表示基团—Z—R6，其中Z表示基团—CO—、基团—CH（OH）—或类似物，而R6表示具有1至4个氮原子、氧原子或硫原子的5至15环的单环、双环或三环、饱和或不饱和的杂环基团; R2表示氢原子、卤素原子或较低的烷基链; Y表示基团—O—、基团—CO—、基团—CH（OH）—、较低的烷基链或类似物; A表示基团或类似物，其中R3表示氢原子、较低的烷氧基或类似物，p表示1或2，而R4表示咪唑基较低的烷基链或类似物。