(9ci)-1-(三氟乙酰基)-2-吡咯烷羧醛 | 245051-66-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: (9ci)-1-(三氟乙酰基)-2-吡咯烷羧醛
• 英文名称: N-trifluoroacetyl pyrrolidine-2-carboxaldehyde
• 英文别名: 1-(2,2,2-Trifluoroacetyl)pyrrolidine-2-carbaldehyde
• CAS: 245051-66-5
• 化学式: C₇H₈F₃NO₂
• 分子量: 195.141
• InChiKey: XTIXUYCMYOKUJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (9ci)-1-(三氟乙酰基)-2-吡咯烷羧醛 、 甲氧基胺盐酸盐 在 吡啶 作用下， 以 甲醇 为溶剂， 反应 10.0h， 生成 (Z)-N-trifluoroacetyl pyrrolidine-2-carboxaldehyde-O-methyloxime 、 (E)-N-trifluoroacetyl pyrrolidine-2-carboxaldehyde-O-methyloxime
  参考文献：
  名称：

  Intramolecular Aziridination:  Decomposition of Diazoamides with Tethered Imino Bonds

  摘要：

  Of three possible mechanistic pathways, tethered oximino ethers react intramolecularly with diazoamides to produce a diazabicyclo[5.1.0]hexane aziridine containing skeleton. Several acyclic and cyclic templates were synthesized and reacted with rhodium catalysts to prepare their corresponding annulated aziridines. Anomalous behavior was discovered with the piperidine template, resulting in an aziridination occurring during the attempted diazo-transfer reaction, rather than the catalyzed carbenoid reaction.

  DOI：

  10.1021/ol990750h
• 作为产物：
  描述：

  (9ci)-1-(三氟乙酰基)-2-吡咯烷甲醇 在 4 A molecular sieve 、 sodium acetate 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 生成 (9ci)-1-(三氟乙酰基)-2-吡咯烷羧醛
  参考文献：
  名称：

  Intramolecular Aziridination:  Decomposition of Diazoamides with Tethered Imino Bonds

  摘要：

  Of three possible mechanistic pathways, tethered oximino ethers react intramolecularly with diazoamides to produce a diazabicyclo[5.1.0]hexane aziridine containing skeleton. Several acyclic and cyclic templates were synthesized and reacted with rhodium catalysts to prepare their corresponding annulated aziridines. Anomalous behavior was discovered with the piperidine template, resulting in an aziridination occurring during the attempted diazo-transfer reaction, rather than the catalyzed carbenoid reaction.

  DOI：

  10.1021/ol990750h

文献信息

• Bicycloheteroaryl compounds as P2X7 modulators and uses thereof
  申请人：Kelly G. Michael

  公开号：US20060217448A1

  公开（公告）日：2006-09-28

  Bicycloheteroaryl compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

  公开了具有以下公式代表的Bicycloheteroaryl化合物：这些化合物可以制备为药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如疼痛、炎症、创伤性损伤等。
• TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S
  申请人：Ameriks Michael K.

  公开号：US20090099157A1

  公开（公告）日：2009-04-16

  Tetrahydro-pyrazolo-pyridine thioether compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by cathepsin S activity, such as psoriasis, pain, multiple sclerosis, atherosclerosis, and rheumatoid arthritis.

  描述了四氢-吡唑-吡啶硫醚化合物，它们可用作猫hepsin S调节剂。这些化合物可用于制备药物组合物和治疗疾病状态、疾病和病情的方法，这些疾病状态、疾病和病情是由猫hepsin S活性介导的，例如银屑病、疼痛、多发性硬化症、动脉硬化和类风湿性关节炎。
• Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof
  申请人：Kelly G Michael

  公开号：US20080039478A1

  公开（公告）日：2008-02-14

  Bicycloheteroaryl compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

  本文披露了一种具有以下公式表示的Bicycloheteroaryl化合物：这些化合物可以制备为药物组成物，并可用于预防和治疗哺乳动物包括人类的各种疾病，包括但不限于疼痛，炎症，创伤性损伤等。
• US7297700B2
  申请人：——

  公开号：US7297700B2

  公开（公告）日：2007-11-20
• [EN] TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S<br/>[FR] MODULATEURS DE LA CATHEPSINE S AU THIOÉTHER DE TÉTRAHYDRO-PYRAZOLO-PYRIDINE
  申请人：SUNESIS PHARMACEUTICALS INC

  公开号：WO2008100621A2

  公开（公告）日：2008-08-21

  [EN] Tetrahydro-pyrazolo-pyridine thioether compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by cathepsin S activity, such as psoriasis, pain, multiple sclerosis, atherosclerosis, and rheumatoid arthritis.
  [FR] L'invention concerne des composés de thioéther de tétrahydro-pyrazolo-pyridine, qui sont utiles en tant que modulateurs de cathepsine S. De tels composés peuvent être utilisés dans des compositions pharmaceutiques et des procédés pour le traitement de maladies, de troubles et d'états provoqués par l'activité de la cathepsine S, tels que le psoriasis, la douleur, la sclérose en plaques, l'athérosclérose, et l'arthrite rhumatoïde.