4-(4-(羟基甲基)-1H-1,2,3-噻唑-1-基)哌啶-1-羧酸叔丁酯 | 1229516-67-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-(4-(羟基甲基)-1H-1,2,3-噻唑-1-基)哌啶-1-羧酸叔丁酯
• 英文名称: tert-butyl 4-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)piperidine-1-carboxylate
• 英文别名: tert-Butyl 4-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)piperidine-1-carboxylate；tert-butyl 4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxylate
• CAS: 1229516-67-9
• 化学式: C₁₃H₂₂N₄O₃
• 分子量: 282.343
• InChiKey: DIDNNROJDFHIMV-UHFFFAOYSA-N

物化性质

• 密度：
  1.28

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  80.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(4-(羟基甲基)-1H-1,2,3-噻唑-1-基)哌啶-1-羧酸叔丁酯 在 copper(l) iodide 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 12.66h， 生成 1-(4-(4-((6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)methyl)-1H-1,2,3-triazol-1-yl)piperidin-1-yl)propan-1-one
  参考文献：
  名称：

  A novel amalgamation of 1,2,3-triazoles, piperidines and thieno pyridine rings and evaluation of their antifungal activity

  摘要：

  It is the first report of the novel amalgamation of 1,2,3-triazoles, piperidines, thieno pyridine rings and evaluation of their antifungal activity. The synthesized compounds showed interesting moderate to good antifungal activity, wherein they were able to discriminate between the two species Aspergillus flavus and Aspergillus niger of the same genus. In addition, the main highlight of this series is the sensitivity of the fungal strain Gyptococcus neoformans to the compounds having p-chlorobenzoyl (9h), methane sulfonyl (9i) and p-methylbenzene sulfonyl (9j) attached to the piperazine nitrogen. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.04.045
• 作为产物：
  描述：

  1-Boc-4-甲烷磺酰氧基哌啶 在 copper(l) iodide 、 sodium azide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 4-(4-(羟基甲基)-1H-1,2,3-噻唑-1-基)哌啶-1-羧酸叔丁酯
  参考文献：
  名称：

  A novel amalgamation of 1,2,3-triazoles, piperidines and thieno pyridine rings and evaluation of their antifungal activity

  摘要：

  It is the first report of the novel amalgamation of 1,2,3-triazoles, piperidines, thieno pyridine rings and evaluation of their antifungal activity. The synthesized compounds showed interesting moderate to good antifungal activity, wherein they were able to discriminate between the two species Aspergillus flavus and Aspergillus niger of the same genus. In addition, the main highlight of this series is the sensitivity of the fungal strain Gyptococcus neoformans to the compounds having p-chlorobenzoyl (9h), methane sulfonyl (9i) and p-methylbenzene sulfonyl (9j) attached to the piperazine nitrogen. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.04.045

文献信息

• 4-Substituted 4-(1H-1,2,3-triazol-1-yl)piperidine: Novel C7 moieties of fluoroquinolones as antibacterial agents
  作者：Xiaoguang Huang、Aiqin Zhang、Dongliang Chen、Zhenhua Jia、Xingshu Li

  DOI：10.1016/j.bmcl.2010.03.044

  日期：2010.5

  A series of 4-substituted 4-(1H-1,2,3-triazol-1-yl)piperidine building blocks was synthesized and introduced to the C7 position of the quinolone core, 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid, to afford the corresponding fluoroquinolones in 40–83% yield. The antibacterial activity of these new fluoroquinolones was evaluated using a standard broth microdilution

  合成了一系列的4-取代的4-（1 H -1,2,3-三唑-1-基）哌啶构件，并将其引入到喹诺酮核心的C7位7-氯-1-环丙基-6-氟-4-氧代-1,4-二氢-1,8-萘啶-3-羧酸，以40-83％的产率提供相应的氟喹诺酮类。使用标准肉汤微稀释技术评估了这些新的氟喹诺酮类药物的抗菌活性。其中，喹诺酮1-环丙基-6-氟-7-（4-（4-甲酰基-1 H -1,2,3-三唑-1-基）哌啶-1-基）-4-氧代-1 ，4-二氢-1,8-萘啶-3-羧酸（34.15）对喹诺酮敏感和耐多药菌株，特别是对金 黄色葡萄球菌和表皮葡萄球菌与环丙沙星和万古霉素相比。
• A novel amalgamation of 1,2,3-triazoles, piperidines and thieno pyridine rings and evaluation of their antifungal activity
  作者：Sunil N. Darandale、Nayeem A. Mulla、Dattatraya N. Pansare、Jaiprakash N. Sangshetti、Devanand B. Shinde

  DOI：10.1016/j.ejmech.2013.04.045

  日期：2013.7

  It is the first report of the novel amalgamation of 1,2,3-triazoles, piperidines, thieno pyridine rings and evaluation of their antifungal activity. The synthesized compounds showed interesting moderate to good antifungal activity, wherein they were able to discriminate between the two species Aspergillus flavus and Aspergillus niger of the same genus. In addition, the main highlight of this series is the sensitivity of the fungal strain Gyptococcus neoformans to the compounds having p-chlorobenzoyl (9h), methane sulfonyl (9i) and p-methylbenzene sulfonyl (9j) attached to the piperazine nitrogen. (C) 2013 Elsevier Masson SAS. All rights reserved.