4-cyclopentyl-1,2,3-triazole | 1231244-99-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-cyclopentyl-1,2,3-triazole
• 英文别名: 4-Cyclopentyl-2H-1,2,3-triazole；4-cyclopentyl-2H-triazole
• CAS: 1231244-99-7
• 化学式: C₇H₁₁N₃
• 分子量: 137.184
• InChiKey: NCPWJGXUZADANP-UHFFFAOYSA-N

物化性质

• 沸点：
  293.6±9.0 °C(Predicted)
• 密度：
  1.165±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-溴苯甲酸甲酯 、 4-cyclopentyl-1,2,3-triazole 在 2-二叔丁基膦-3,4,5,6-四甲基-2′,4′,6′-三异丙基-1,1′-联苯 、 potassium phosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以93%的产率得到methyl 3-(4-cyclopentyl-2H-1,2,3-triazol-2-yl)benzoate
  参考文献：
  名称：

  Highly N2-Selective Palladium-Catalyzed Arylation of 1,2,3-Triazoles

  摘要：

  Highly N2-selective arylation of 4,5-unsubstituted and 4-substituted 1,2,3-triazoles was achieved for the first time by Pd/L1 catalyst system. A wide range of N2-aryl-1,2,3-triazoles were prepared from aryl bromides, chlorides and triflates with excellent (95–99%) N2-selectivity. DFT calculations suggest that formation of N2-arylated 1,2,3-triazoles is favored kinetically.

  DOI：

  10.1002/anie.201103882
• 作为产物：
  描述：

  环戊基乙炔 在 copper(l) iodide 、 叠氮基三甲基硅烷 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以80%的产率得到4-cyclopentyl-1,2,3-triazole
  参考文献：
  名称：

  Highly N2-Selective Palladium-Catalyzed Arylation of 1,2,3-Triazoles

  摘要：

  Highly N2-selective arylation of 4,5-unsubstituted and 4-substituted 1,2,3-triazoles was achieved for the first time by Pd/L1 catalyst system. A wide range of N2-aryl-1,2,3-triazoles were prepared from aryl bromides, chlorides and triflates with excellent (95–99%) N2-selectivity. DFT calculations suggest that formation of N2-arylated 1,2,3-triazoles is favored kinetically.

  DOI：

  10.1002/anie.201103882

文献信息

• [EN] TETRAHYDRONAPHTHALENE DERIVATIVES USEFUL AS NRF2 ACTIVATORS<br/>[FR] DÉRIVÉS DE TÉTRAHYDRONAPHTALÈNE UTILES EN TANT QU'ACTIVATEURS DE NRF2
  申请人：BIOGEN MA INC

  公开号：WO2019104030A1

  公开（公告）日：2019-05-31

  Provided are compounds of Formula I, or pharmaceutically acceptable salts thereof, and methods for their use as Nrf2 activators and for their production.

  提供的是I式化合物，或其药用可接受的盐，以及它们作为Nrf2激活剂的使用方法和生产方法。
• [EN] SULFONE DERIVATIVES AND THEIR USE AS PKM2 MODULATORS FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE SULFONE ET LEUR UTILISATION EN TANT QUE MODULATEURS DE PKM2 POUR LE TRAITEMENT DU CANCER
  申请人：LUPIN LTD

  公开号：WO2013005157A1

  公开（公告）日：2013-01-10

  Provided herein is novel compound of the general formula (I), its tautomeric forms, its stereoisomers, its analogs, its prodrugs, its isotopes, its N- oxides, its metabolites, its pharmaceutically acceptable salts, its polymorphs, its solvates, its optical isomers, its clathrates, its co-crystals, its combinations with suitable medicament and pharmaceutical compositions comprising the same. Also provided is method of treating a disease responsive to activation of human PKM2 by administration of said compound and its use as PKM2 modulator in various pathological conditions.

  提供了一种通用公式（I）的新型化合物，其互变异构体，立体异构体，类似物，前药，同位素，N-氧化物，代谢物，药用可接受盐，多态性，溶剂化物，光学异构体，包合物，共晶，与适宜药物的组合以及包含同一的药物组合物。还提供了一种通过施用所述化合物来治疗对人类PKM2激活有反应的疾病的方法，以及将其用作各种病理条件下的PKM2调节剂。
• [EN] USE OF UAP INHIBITORS TO INHIBIT FLUX THROUGH THE HEXOSAMINE BIOSYNTHETIC PATHWAY<br/>[FR] UTILISATION D'INHIBITEURS D'UAP POUR INHIBER UN FLUX À TRAVERS LA VOIE BIOSYNTHÉTIQUE DE L'HEXOSAMINE
  申请人：UNIV JOHNS HOPKINS

  公开号：WO2016025790A1

  公开（公告）日：2016-02-18

  Disclosed are UAP inhibitors to inhibit glucose flux in the hexosamine biohynthetic pathway and methods of treating a disease using the inhibitors.

  揭示了用于抑制己糖胺生物合成途径中葡萄糖通量的UAP抑制剂，以及利用这些抑制剂治疗疾病的方法。
• Thermally Sensitive Protecting Groups for Cysteine, and Manufacture and Use Thereof
  申请人：University of Windsor

  公开号：US20210040105A1

  公开（公告）日：2021-02-11

  In a preferred embodiment, there is provided a protecting group for protecting the thiol side chain of a cysteine residue, the protecting group comprising a Diels-Alder cycloadduct of a furan and a maleimide, and optionally, a linker interposed between the thiol side chain and the Diels-Alder cycloadduct.

  在一种优选实施方式中，提供了一种保护基团，用于保护半胱氨酸残基的硫醇侧链，所述保护基团包括呋喃和马来酰亚胺的二烯-阿尔德环加成物，以及可选地，插入在硫醇侧链和二烯-阿尔德环加成物之间的连接剂。
• NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE
  申请人：Bischoff Alexander

  公开号：US20100160323A1

  公开（公告）日：2010-06-24

  The present invention relates to piperazine derivatives that act as inhibitors of stearoyl-CoA desaturase. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

  本发明涉及作为硬脂酰辅酶A去饱和酶抑制剂的哌嗪衍生物。该发明还涉及制备这些化合物的方法、含有这些化合物的组合物，以及使用这些化合物进行治疗的方法。