tert-butyl 4-[2-(4-aminopyrazol-1-yl)ethyl]piperidine-1-carboxylate | 1029413-43-1

• 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-[2-(4-aminopyrazol-1-yl)ethyl]piperidine-1-carboxylate
• 英文别名: 4-[2-(4-aminopyrazol-1-yl)ethyl]piperidine-1-carboxylic acid tert-butyl ester；1-(2-(1-Boc-piperidin-4-yl)-ethyl)-1h-pyrazol-4-ylamine
• CAS: 1029413-43-1
• 化学式: C₁₅H₂₆N₄O₂
• 分子量: 294.397
• InChiKey: SHZGLPIAOJMENJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  73.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-[2-(4-aminopyrazol-1-yl)ethyl]piperidine-1-carboxylate 、 5-[4-(5-chloro-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)phenoxy]pentanoic acid ethyl ester 在 乙二醇甲醚 、 三乙胺 作用下， 反应 2.0h， 以309.7 mg的产率得到4-[2-(4-{3-[4-(4-ethoxycarbonylbutoxy)phenyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-ylamino}pyrazol-1-yl)ethyl]piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  [EN] MACROCYCLES AS KINASE INHIBITORS
  [FR] MACROCYCLES UTILISÉS EN TANT QU'INHIBITEURS DE KINASES

  摘要：

  式I中X、Y、Q1、M、Q2和B具有权利要求1中所指示的含义的化合物是GCN2的抑制剂，可用于治疗癌症。

  公开号：

  WO2014180524A1
• 作为产物：
  描述：

  tert-butyl 4-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]piperidine-1-carboxylate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 tert-butyl 4-[2-(4-aminopyrazol-1-yl)ethyl]piperidine-1-carboxylate
  参考文献：
  名称：

  A practical, two-step synthesis of 1-alkyl-4-aminopyrazoles

  摘要：

  A novel synthesis of N1 alkyl-substituted pyrazoles with a free amino group at the C4 position is described. Commercially available 4-nitropyrazole was found to readily undergo Mitsunobu reactions with primary and secondary alcohols. Subsequent reduction of the nitro group via hydrogenation affords 1-alkyl-4-aminopyrazoles, which are valuable intermediates in the synthesis of pharmaceutically active compounds. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.02.169

文献信息

• BENZONITRILE DERIVATIVES AS KINASE INHIBITORS
  申请人：Hoelzemann Guenter

  公开号：US20140228340A1

  公开（公告）日：2014-08-14

  Compounds of the formula I, in which R 1 , R 2 , X and Y have the meanings indicated in Claim 1 , are inhibitors of TBK1 and IKKε and can be employed, inter alia, for the treatment of cancer and inflammatory diseases.

  式I中的化合物，其中R1、R2、X和Y具有权利要求1中指示的含义，是TBK1和IKKε的抑制剂，可用于治疗癌症和炎症性疾病。
• MACROCYCLES AS KINASE INHIBITORS
  申请人：MERCK PATENT GMBH

  公开号：US20160166574A1

  公开（公告）日：2016-06-16

  Compounds of the formula I in which X, Y, Q 1 , M, Q 2 and B have the meanings indicated in Claim 1 , are inhibitors of GCN2, and can be employed, inter alia, for the treatment of cancer.

  公式I的化合物中，X、Y、Q1、M、Q2和B具有声明1中所示的含义，是GCN2的抑制剂，并可用于治疗癌症等疾病。
• US8969335B2
  申请人：——

  公开号：US8969335B2

  公开（公告）日：2015-03-03
• US9861635B2
  申请人：——

  公开号：US9861635B2

  公开（公告）日：2018-01-09
• A practical, two-step synthesis of 1-alkyl-4-aminopyrazoles
  作者：Anna A. Zabierek、Kaleen M. Konrad、Andrew M. Haidle

  DOI：10.1016/j.tetlet.2008.02.169

  日期：2008.4

  A novel synthesis of N1 alkyl-substituted pyrazoles with a free amino group at the C4 position is described. Commercially available 4-nitropyrazole was found to readily undergo Mitsunobu reactions with primary and secondary alcohols. Subsequent reduction of the nitro group via hydrogenation affords 1-alkyl-4-aminopyrazoles, which are valuable intermediates in the synthesis of pharmaceutically active compounds. (C) 2008 Elsevier Ltd. All rights reserved.