tert-butyl 4-{[(benzyl)(2-bromophenyl)amino]carbonyl}piperidine-1-carboxylate | 293744-31-7

• 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-{[(benzyl)(2-bromophenyl)amino]carbonyl}piperidine-1-carboxylate
• 英文别名: tert-butyl 4-(benzyl(2-bromophenyl)carbamoyl)piperidine-1-carboxylate；4-[Benzyl-(2-bromo-phenyl)-carbamoyl]-piperidine-1-carboxylic acid tert-butyl ester；tert-butyl 4-[benzyl-(2-bromophenyl)carbamoyl]piperidine-1-carboxylate
• CAS: 293744-31-7
• 化学式: C₂₄H₂₉BrN₂O₃
• 分子量: 473.41
• InChiKey: RITJHUJFOXNBAZ-UHFFFAOYSA-N

物化性质

• 沸点：
  577.6±50.0 °C(Predicted)
• 密度：
  1.319±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-{[(benzyl)(2-bromophenyl)amino]carbonyl}piperidine-1-carboxylate 在 tris-(dibenzylideneacetone)dipalladium(0) R-(+)-1,1'-联萘-2,2'-双二苯膦 、 sodium t-butanolate 作用下， 以 1,4-二氧六环 为溶剂， 反应 5.08h， 生成 tert-butyl 1-benzyl-1,2-dihydro-2-oxospiro[3H-indole-3,4'-piperidine]-1'-carboxylate
  参考文献：
  名称：

  WO2007/28638

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氯羰基-哌啶-1-羧酸叔丁酯 在 吡啶 、 4-二甲氨基吡啶 、 potassium fluoride on basic alumina 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 86.0h， 生成 tert-butyl 4-{[(benzyl)(2-bromophenyl)amino]carbonyl}piperidine-1-carboxylate
  参考文献：
  名称：

  摘要：

  Starling from 1-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid and 2-bromoaniline, the spiro[indole-3,4'-piperidin]-2-one system was obtained in three high-yielding steps: anilide formation, N(1)-protection, and intramolecular cyclization under Pd catalysis as the key reaction. The preparation of the corresponding 2-bromoanilide was studied. In extension, the same sequence was developed with 4-methyl- and 4-nitro-2-bromoaniline. In the key step, the NO, group led to a rather diminished yield. The transformation of the protected spiro[indole3,4'-piperidin] -2-one to the corresponding unprotected dihydroindoles is discussed.

  DOI：

  10.1002/1522-2675(20000607)83:6<1247::aid-hlca1247>3.0.co;2-1

文献信息

• Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators
  申请人：Battista A. Kathleen

  公开号：US20070112016A1

  公开（公告）日：2007-05-17

  The present invention is directed to novel 3-spirocyclic indolyl derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by the ORL-1 receptor.

  本发明涉及新颖的3-螺环吲哚衍生物，包含它们的药物组合物以及它们在治疗由ORL-1受体调节的疾病和症状中的用途。
• Fused and Spirocycle Compounds and the Use Thereof
  申请人：Chen Zhengming

  公开号：US20090118319A1

  公开（公告）日：2009-05-07

  The invention relates to fused and spirocycle compounds of Formula (I), or a pharmaceutically acceptable salt, prodrug, or solvate thereof, wherein R 1 , R 2 , Q 1 -Q 3 , and Z are defined as set forth in the specification. The invention is also directed to the use of compounds of Formula (I) to treat, prevent or ameliorate a disorder responsive to the blockade of calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

  本发明涉及公式（I）的融合和螺环化合物，或其药学上可接受的盐，前药或溶剂，其中R1、R2、Q1-Q3和Z如说明书所述。本发明还涉及使用公式（I）的化合物治疗、预防或改善对钙通道阻滞有反应的疾病，尤其是N型钙通道。本发明的化合物特别适用于治疗疼痛。
• Dipiperazinyl ketones and related analogues
  申请人：Xie Linghong

  公开号：US20070049571A1

  公开（公告）日：2007-03-01

  Dipiperazinyl ketones and related analogues are provided, as are methods for their preparation and use. Such compounds may generally be used to modulate ligand binding to histamine H3 receptors in vivo or in vitro, and are particularly useful in the treatment of a variety of disorders in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and therapeutic methods are provided, as are methods for using such ligands for detecting histamine H3 receptors (e.g., receptor localization studies).

  提供了二吡咯啉酮和相关类似物，以及它们的制备和使用方法。这些化合物通常可用于体内或体外调节组胺H3受体的配体结合，并特别适用于治疗人类、家养伴侣动物和家畜动物的各种疾病。提供了药物组合物和治疗方法，以及使用这些配体检测组胺H3受体的方法（例如，受体定位研究）。
• ANTAGONISTS OF PGD2 RECEPTORS
  申请人：Stearns Brian Andrew

  公开号：US20100280049A1

  公开（公告）日：2010-11-04

  Described herein are compounds and pharmaceutical compositions containing such compounds that antagonize the PGD2 activated chemoattractant receptor-homologous molecule expressed on TH2 cells (CRTH2). Also described herein are methods of using such CRTH2 antagonists, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other PGD2-dependent or PGD2 mediated conditions or diseases.

  本文描述了一些化合物和含有这些化合物的药物组合物，这些化合物可以拮抗PGD2激活的趋化剂受体同源分子在TH2细胞上的表达（CRTH2）。本文还描述了使用这种CRTH2拮抗剂的方法，单独或与其他化合物联合使用，用于治疗呼吸系统、心血管系统和其他依赖于PGD2或通过PGD2介导的疾病或疾病。
• 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators
  申请人：Janssen Pharmaceutica N.V.

  公开号：US07655670B2

  公开（公告）日：2010-02-02

  The present invention is directed to novel 3-spirocyclic indolyl derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by the ORL-1 receptor.

  本发明涉及新型的3-螺环吲哚衍生物，包含它们的制药组合物以及它们在治疗被ORL-1受体调节的疾病和状况中的应用。