tert-butyl 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylate | 868063-71-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tert-butyl 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylate
• CAS: 868063-71-2
• 化学式: C₁₆H₂₃ClN₂O₂
• 分子量: 310.824
• InChiKey: HCMNBJLVQNNVTJ-UHFFFAOYSA-N

物化性质

• 沸点：
  412.3±40.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 生成 1-[2-(3-氯苯基)]-1,4-二氮杂环庚烷
  参考文献：
  名称：

  [EN] PYRROLE mTORC INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS PYRROLES DE MTORC ET LEURS UTILISATIONS

  摘要：

  本发明提供了化合物、其组合物以及使用这些化合物的方法。

  公开号：

  WO2018089493A1
• 作为产物：
  描述：

  1,4-二氮杂环庚烷-1-甲酸叔丁酯 在 N-氯代丁二酰亚胺 、 cesium fluoride 作用下， 以 乙腈 为溶剂， 反应 1.0h， 生成 tert-butyl 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylate
  参考文献：
  名称：

  Insertion of Arynes into N-Halo Bonds: A Direct Approach to o-Haloaminoarenes

  摘要：

  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.

  DOI：

  10.1021/ol401518c

文献信息

• PYRROLE mTORC INHIBITORS AND USES THEREOF
  申请人：Navitor Pharmaceuticals, Inc.

  公开号：US20190389843A1

  公开（公告）日：2019-12-26

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。
• THIENOPYRIDINE DERIVATIVES
  申请人：Sankyo Company, Limited

  公开号：EP1764367A1

  公开（公告）日：2007-03-21

  The present invention provides a compound promoting osteogenesis. The present invention provides a compound having the following general formula (I) wherein R1 is H or alkyl, R2 is RaS-, RaO-, RaNH-, Ra(Rb)N- or cyclic amino, and Ra and Rb are alkyl which may be substituted, cycloalkyl which may be substituted, or the like, or a pharmacologically acceptable salt thereof.

  本发明提供一种促进成骨的化合物。本发明提供具有以下一般式（I）的化合物 其中R1为H或烷基， R2为RaS-、RaO-、RaNH-、Ra(Rb)N-或环状氨基，且 Ra和Rb为可以被取代的烷基、可以被取代的环烷基等，或其药理学上可接受的盐。
• Thienopyridine Derivatives
  申请人：Oizumi Kiyoshi

  公开号：US20070219234A1

  公开（公告）日：2007-09-20

  [Problem to be Solved]The present invention provides a compound promoting osteogenesis. [Solution] The present invention provides a compound having the following general formula (I) wherein R 1 is H or alkyl, R 2 is R a S—, R a O—, R a NH—, R a (R b )N— or cyclic amino, and R a and R b are alkyl which may be substituted, cycloalkyl which may be substituted, or the like, or a pharmacologically acceptable salt thereof.

  【待解决的问题】本发明提供了一种促进成骨作用的化合物。 【解决方案】本发明提供了一种具有以下通式（I）的化合物，其中R1为H或烷基，R2为RaS—、RaO—、RaNH—、Ra（Rb）N—或环状氨基，而Ra和Rb为可被取代的烷基、可被取代的环烷基等，或其药理学上可接受的盐。
• An improved synthesis of N-aryl and N-heteroaryl substituted homopiperazines—from conventional thermal conditions to scaling-up using microwave heating
  作者：Uwe Schön、Josef Messinger、M. Buckendahl、M.S. Prabhu、A. Konda

  DOI：10.1016/j.tet.2009.07.086

  日期：2009.9

  An efficient Pd(0)-catalyzed Buchwald-Hartwig protocol for the facile preparation of N-aryl and N-heteroaryl substituted homopiperazines is described. The syntheses proceeded with aryl- and heteroaryl halides in high yields using X-Phos as best ligand. The C-N coupling products were prepared both under conventional as well as microwave heating conditions and examples for microwave-assisted upscaling are included in this study. (C) 2009 Elsevier Ltd. All rights reserved.
• Synthesis of <i>ortho</i>-Haloaminoarenes by Aryne Insertion of Nitrogen–Halide Bonds
  作者：Charles E. Hendrick、Qiu Wang

  DOI：10.1021/jo502541t

  日期：2015.1.16

  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.