4-(环戊胺)苯氰 | 1019512-92-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(环戊胺)苯氰
• 英文名称: 4-(cyclopentylamino)benzonitrile
• CAS: 1019512-92-5
• 化学式: C₁₂H₁₄N₂
• mdl: MFCD11145725
• 分子量: 186.257
• InChiKey: BIGJOYDBXGFEPA-UHFFFAOYSA-N

物化性质

• 沸点：
  350.0±25.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines
  申请人：Likhar Pravin R.

  公开号：US20110313158A1

  公开（公告）日：2011-12-22

  The invention describes the development of highly efficient, recyclable two component system, CuAl-hydrotalcite/rac 1,1′-Binaphthalene-2,2′-diol catalytic system for the N-alkylation of electron deficient aryl chlorides in presence of potassium carbonate as a base at room temperature in 3-6 h, wherein the process is provided for the preparation of various secondary amines via C—N coupling reaction of aliphatic amines(aliphatic open chain, acyclic, benzyl amines and heterocyclic amines) with various aryl chlorides.

  该发明描述了开发高效、可回收的两组分体系，CuAl-水滑石/rac 1,1′-联萘-2,2′-二酚催化系统，用于在室温下在3-6小时内以碳酸钾为碱催化芳基氯化物的N-烷基化反应，其中该过程提供了通过脂肪胺（脂肪开链、无环、苄胺和杂环胺）与各种芳基氯化物进行C—N偶联反应制备各种二级胺的方法。
• Compounds for the treatment of Clostridium difficile infection
  申请人：University of Notre Dame du Lac

  公开号：US11168062B2

  公开（公告）日：2021-11-09

  Clostridium difficile infection (CDI) is a public health threat that results in 14,000 annual deaths in the United States. Challenges involve the production of CDI spores that can remain dormant for years and the production of toxins that damage the gut. Current therapies for CDI include vancomycin and metronidazole, but neither inhibits spore or toxin production. Thus, recurrence of infection occurs in 25% of patients and there are no antibiotics that are effective for multiple recurrences. We describe oxadiazoles with activity against C. difficile, including the highly virulent NAP1/027 strain with increased production of toxins A and B, as well as the additional binary toxin. Oxadiazole 2 is poorly absorbed, thus advantageously achieving high concentrations in the gut. The compound targets peptidoglycan synthesis and inhibits vegetative cells, spores, and toxin production.

  艰难梭菌感染（CDI）是一种公共卫生威胁，在美国每年造成 14,000 人死亡。其挑战在于 CDI 孢子的产生，这种孢子可保持休眠状态数年之久，并产生损害肠道的毒素。目前治疗 CDI 的药物包括万古霉素和甲硝唑，但这两种药物都不能抑制孢子或毒素的产生。因此，25% 的患者会出现感染复发，而目前还没有对多次复发有效的抗生素。我们介绍了对艰难梭菌具有活性的噁二唑类药物，包括毒性极强的 NAP1/027 菌株，其毒素 A 和毒素 B 以及额外的二元毒素的产量均有所增加。噁二唑 2 的吸收性很差，因此在肠道中具有高浓度的优势。该化合物靶向肽聚糖合成，抑制无性细胞、孢子和毒素的产生。
• NOVEL TRICYCLIC COMPOUNDS
  申请人：AbbVie Inc.

  公开号：EP2506716B1

  公开（公告）日：2017-05-17
• COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION
  申请人：University of Notre Dame du Lac

  公开号：US20190210984A1

  公开（公告）日：2019-07-11

  Clostridium difficile infection (CDI) is a public health threat that results in 14,000 annual deaths in the United States. Challenges involve the production of CDI spores that can remain dormant for years and the production of toxins that damage the gut. Current therapies for CDI include vancomycin and metronidazole, but neither inhibits spore or toxin production. Thus, recurrence of infection occurs in 25% of patients and there are no antibiotics that are effective for multiple recurrences. We describe oxadiazoles with activity against C. difficile, including the highly virulent NAP1/027 strain with increased production of toxins A and B, as well as the additional binary toxin. Oxadiazole 2 is poorly absorbed, thus advantageously achieving high concentrations in the gut. The compound targets peptidoglycan synthesis and inhibits vegetative cells, spores, and toxin production.
• [EN] A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES<br/>[FR] CATALYSEUR HÉTÉROGÈNE RECYCLABLE À DEUX COMPOSANTS, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION POUR LA PRÉPARATION D'AMINES
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2010097815A2

  公开（公告）日：2010-09-02

  The invention describes the development of highly efficient, recyclable two component system, CuAl-hydrotalcite/rac 1,1'-Binaphthalene-2,2'-diol catalytic system for the N-alkylation of electron deficient aryl chlorides in presence of potassium carbonate as a base at room temperature in 3-6 h, wherein the process is provided for the preparation of various secondary amines via C-N coupling reaction of aliphatic amines (aliphatic open chain, acyclic, benzyl amines and heterocyclic amines) with various aryl chlorides.