[4-(2-氯苯基)哌嗪-1-基]-苯基甲酮 | 20386-34-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: [4-(2-氯苯基)哌嗪-1-基]-苯基甲酮
• 英文名称: (4-(2-chlorophenyl)piperazin-1-yl)(phenyl)methanone
• 英文别名: 1-benzoyl-4-(2-chloro-phenyl)-piperazine；1-Benzoyl-4-(2-chlor-phenyl)-piperazin；1-Benzoyl-4-(o-chlor-phenyl)-piperazin；[4-(2-Chlorophenyl)piperazin-1-yl](phenyl)methanone；[4-(2-chlorophenyl)piperazin-1-yl]-phenylmethanone
• CAS: 20386-34-9
• 化学式: C₁₇H₁₇ClN₂O
• 分子量: 300.788
• InChiKey: QJMKZHNAVLJIBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-苯甲酰哌嗪 在 N-氯代丁二酰亚胺 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 25.0h， 生成 [4-(2-氯苯基)哌嗪-1-基]-苯基甲酮
  参考文献：
  名称：

  Synthesis of ortho-Haloaminoarenes by Aryne Insertion of Nitrogen–Halide Bonds

  摘要：

  A rapid and general access to ortho-haloaminoarenes has been developed by aryne insertion into N-chloramine, N-bromoamine, and N-iodoamine bonds via two complementary protocols harnessing fluoride-promoted 1,2-elimination of ortho-trimethylsilyl aryltriflates. Typically, electron-deficient N-chloramines effectively react with aryne intermediates generated at elevated temperature with CsF, while less stable N-haloamines are found more efficient under milder, TBAF-mediated aryne formation at room temperature. Both protocols demonstrate a good level of regioselectivity and functional group tolerance. Efforts to elucidate the mechanism of NX insertion are also discussed. The practical value of this transformation is highlighted by rapid synthesis of novel analogues of the antipsychotic cariprazine.

  DOI：

  10.1021/jo502541t

文献信息

• TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES
  申请人：Forschungszentrum Jülich GmbH/ Abteilung RP-PT

  公开号：EP3659593A1

  公开（公告）日：2020-06-03

  The present invention relates to inhibitors of the enzyme TRMT2A and medical uses thereof. More particularly, the present invention relates to the treatment and the prevention of polyglutamine diseases using TRMT2A inhibitors.

  本发明涉及 TRMT2A 酶的抑制剂及其医疗用途。更具体地说，本发明涉及使用 TRMT2A 抑制剂治疗和预防多聚谷氨酰胺疾病。
• Insertion of Arynes into <i>N</i>-Halo Bonds: A Direct Approach to <i>o</i>-Haloaminoarenes
  作者：Charles E. Hendrick、Stacey L. McDonald、Qiu Wang

  DOI：10.1021/ol401518c

  日期：2013.7.5

  A new approach to access o-haloaminoarenes has been achieved by insertion of arynes into a nitrogen-halide bond (N-X). This transition-metal-free transformation displays a broad substrate scope of arynes, good compatibility with functional groups, and high regioselectivity. Representative transformations of the o-haloaminoarenes are described to highlight their utility for rapid access to diversely functionalized a minoarene derivatives.
• Derivatives of Piperazine. XXIV. Synthesis of 1-Arylpiperazines and Amino Alcohol Derivatives
  作者：C. B. Pollard、Thomas H. Wicker

  DOI：10.1021/ja01636a034

  日期：1954.4
• [EN] TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES<br/>[FR] INHIBITEURS DE TRMT2A UTILISÉS POUR LE TRAITEMENT DE MALADIES À POLYGLUTAMINE
  申请人：FORSCHUNGSZENTRUM JUELICH GMBH FACHBEREICH PATENTE R P

  公开号：WO2020109233A2

  公开（公告）日：2020-06-04

  The present invention relates to inhibitors of the enzyme TRMT2A and medical uses thereof. More particularly, the present invention relates to the treatment and the prevention of polyglutamine diseases using TRMT2A inhibitors.