tert-butyl 4-cyano-4-(2-(trifluoromethyl)phenyl)piperidine-1-carboxylate | 634465-94-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl 4-cyano-4-(2-(trifluoromethyl)phenyl)piperidine-1-carboxylate
• 英文别名: tert-butyl 4-cyano-4-[2-(trifluoromethyl)phenyl]-1-piperidinecarboxylate；1-Boc-4-cyano-4-(2-trifluoromethylphenyl)-piperidine；tert-butyl 4-cyano-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
• CAS: 634465-94-4
• 化学式: C₁₈H₂₁F₃N₂O₂
• 分子量: 354.372
• InChiKey: SBUYVHFYNAXUBQ-UHFFFAOYSA-N

物化性质

• 沸点：
  432.9±45.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  53.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-cyano-4-(2-(trifluoromethyl)phenyl)piperidine-1-carboxylate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 生成 4-cyano-4-(2-trifluoromethylphenyl)piperidine
  参考文献：
  名称：

  Phenylacetamides as selective α-1A adrenergic receptor antagonists

  摘要：

  A novel class of potent and selective or-la receptor antagonists has been identified. The structures of these antagonists were derived from truncating the 4-aryl dihydropyridine subunit present in known alpha-1a antagonists. The design principles which led to the discovery of substituted phenylacetamides, the synthesis and SAR of key analogues, and the results of select in vitro and in vivo studies are described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00307-3
• 作为产物：
  描述：

  N,N-双(2-氯乙基)氨基甲酸叔丁酯 、 2-(三氟甲基)苯基乙腈 在 sodium hydride 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 24.0h， 生成 tert-butyl 4-cyano-4-(2-(trifluoromethyl)phenyl)piperidine-1-carboxylate
  参考文献：
  名称：

  Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof

  摘要：

  该发明涉及一般式(I)的取代1-哌嗪基酰基哌啶衍生物，其中：n为1或2；p为1或2；R1代表卤原子；三氟甲基基团；(C1-C4)烷基；(C1-C4)烷氧基；三氟甲氧基基团；R2代表氢原子或卤原子；R3代表氢原子；—OR5基团；—CH2OR5基团；—NR6R7基团；—NR8COR9基团；—NR8CONR10R11基团；—CH2NR12R13基团；—CH2NR8CONR14R15基团；(C1-C4)烷氧羰基；—CONR16R17基团；或者R3构成与其连接的碳原子和哌啶环的相邻碳原子之间的双键；R4代表从中选择的芳香族基：所述芳香族基未取代或者经过单取代或双取代，取代基独立选择自卤原子；(C1-C4)烷基；(C1-C4)烷氧基；三氟甲基基团；制备方法和治疗应用。

  公开号：

  US20050176722A1

文献信息

• Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof
  申请人：Bono Francoise

  公开号：US20050176722A1

  公开（公告）日：2005-08-11

  The invention relates to substituted 1-piperazinylacylpiperidine derivatives of general formula (I) in which: n is 1 or 2; p is 1 or 2; R 1 represents a halogen atom; a trifluoromethyl radical; a (C 1 -C 4 )alkyl; a (C 1 -C 4 )alkoxy; a trifluoromethoxy radical; R 2 represents a hydrogen atom or a halogen atom; R 3 represents a hydrogen atom; a group —OR 5 ; a group —CH 2 OR 5 ; a group —NR 6 R 7 ; a group —NR 8 COR 9 ; a group —NR 8 CONR 10 R 11 ; a group —CH 2 NR 12 R 13 ; a group —CH 2 NR 8 CONR 14 R 15 ; a (C 1 -C 4 )alkoxycarbonyl; a group —CONR 16 R 17 ; or else R 3 constitutes a double bond between the carbon atom to which it is attached and the adjacent carbon atom of the piperidine ring; R 4 represents an aromatic group selected from: the said aromatic groups being unsubstituted or being mono- or disubstituted by a substituent selected independently from a halogen atom; a (C 1 -C 4 )alkyl; a (C 1 -C 4 )alkoxy; a trifluoromethyl radical; Preparation process and therapeutic application.

  该发明涉及一般式(I)的取代1-哌嗪基酰基哌啶衍生物，其中：n为1或2；p为1或2；R1代表卤原子；三氟甲基基团；(C1-C4)烷基；(C1-C4)烷氧基；三氟甲氧基基团；R2代表氢原子或卤原子；R3代表氢原子；—OR5基团；—CH2OR5基团；—NR6R7基团；—NR8COR9基团；—NR8CONR10R11基团；—CH2NR12R13基团；—CH2NR8CONR14R15基团；(C1-C4)烷氧羰基；—CONR16R17基团；或者R3构成与其连接的碳原子和哌啶环的相邻碳原子之间的双键；R4代表从中选择的芳香族基：所述芳香族基未取代或者经过单取代或双取代，取代基独立选择自卤原子；(C1-C4)烷基；(C1-C4)烷氧基；三氟甲基基团；制备方法和治疗应用。
• HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF
  申请人：Zhejiang Hisun Pharmaceutical Co., Ltd.

  公开号：EP4092019A1

  公开（公告）日：2022-11-23

  The present invention relates to heteroaryl derivatives, preparation methods therefor, and applications thereof in medicine. Specifically, the present invention relates to a heteroaryl derivative represented by general formula (AI), a preparation method therefor, and a pharmaceutically acceptable salt, and use thereof as a therapeutic agent, in partucular, as an SHP2 allosteric inhibitor, wherein the definition of substituents in general formula (AI) is the same as that in the description.

  本发明涉及杂环芳基衍生物、其制备方法和在医学上的应用。具体地，本发明涉及一种由通式（AI）表示的杂环芳基衍生物、其制备方法、药学上可接受的盐以及作为治疗剂的用途，特别是作为SHP2变构抑制剂，其中通式（AI）中取代基的定义与描述中相同。
• [EN] HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF<br/>[FR] DÉRIVÉ HÉTÉROARYLE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION<br/>[ZH] 杂芳基类衍生物及其制备方法和用途
  申请人：ZHEJIANG HISUN PHARM CO LTD

  公开号：WO2021143680A1

  公开（公告）日：2021-07-22

  本发明涉及杂芳基类衍生物、其制备方法及其在医药上的应用。具体而言，本发明涉及一种通式(AI)所示的杂芳基类衍生物、其制备方法及其可药用的盐，以及它们作为治疗剂，特别是SHP2变构抑制剂的用途，其中通式(AI)中的各取代基的定义与说明书中的定义相同。
• Phenylacetamides as selective α-1A adrenergic receptor antagonists
  作者：Michael A. Patane、Robert M. DiPardo、Randall C. Newton、RoseAnn P. Price、Theodore P. Broten、Raymond S.L. Chang、Richard W. Ransom、Jerry Di Salvo、Dhanapalan Nagarathnam、Carlos Forray、Charles Gluchowski、Mark G. Bock

  DOI：10.1016/s0960-894x(00)00307-3

  日期：2000.8

  A novel class of potent and selective or-la receptor antagonists has been identified. The structures of these antagonists were derived from truncating the 4-aryl dihydropyridine subunit present in known alpha-1a antagonists. The design principles which led to the discovery of substituted phenylacetamides, the synthesis and SAR of key analogues, and the results of select in vitro and in vivo studies are described. (C) 2000 Elsevier Science Ltd. All rights reserved.