N-(4-bromo-2,6-dimethylphenyl)formamide | 93687-03-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-bromo-2,6-dimethylphenyl)formamide
• 英文别名: 5-bromo-2-isocyanato-1,3-dimethylbenzene；2,6-Me2-4-BrPhNCO
• CAS: 93687-03-7
• 化学式: C₉H₁₀BrNO
• 分子量: 228.088
• InChiKey: IYLOSWQRWOLYAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  methyl (2S)-{[(2-amino-4-fluorophenyl)carbonyl]amino}(cyclohexyl)-ethanoate 、 N-(4-bromo-2,6-dimethylphenyl)formamide 在 吡啶 作用下， 生成 Methyl(2s)-({[2-({[(4-bromo-2,6-dimethylphenyl)amino]carbonyl}amino)-4-fluorophenyl]carbonyl}amino)(cyclohexyl)ethanoate
  参考文献：
  名称：

  Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy

  摘要：

  Key binding interactions of the anthranilimide based glycogen phosphorylase a (GPa) inhibitor 2 from X-ray crystallography studies are described. This series of compounds bind to the AMP site of GP. Using the binding information the core and the phenyl urea moieties were optimized. This work culminated in the identification of compounds with single nanomolar potency as well as in vivo efficacy in a diabetic model.

  DOI：

  10.1016/j.bmcl.2008.12.085
• 作为产物：
  描述：

  聚合甲醛 、 4-溴-2,6-二甲基苯胺 以 甲苯 为溶剂， 反应 1.5h， 生成 N-(4-bromo-2,6-dimethylphenyl)formamide
  参考文献：
  名称：

  N-Heterocyclic carbene containing element organic frameworks as heterogeneous organocatalysts

  摘要：

  使用了双功能咪唑鎓连接剂，通过与四功能硼酸进行铃木偶联反应，制备了高度交联的有机元素框架。所得多孔材料在N-杂环卡宾催化的α,β-不饱和肉桂醛的共轭成键反应中表现出良好的非均相有机催化性能。

  DOI：

  10.1039/c1cc10268k

文献信息

• Triplet–Triplet Energy Transfer in Bis-Cyclometalated Iridium Complexes with Pyrene-Substituted Isocyanides
  作者：Morris E. Olumba、Ryan M. O’Donnell、Thomas N. Rohrabaugh、Thomas S. Teets

  DOI：10.1021/acs.inorgchem.3c00457

  日期：2023.8.28

  absorption (ESA) that involves bis-cyclometalated iridium complexes with isocyanide ancillary ligands decorated with pyrene triplet acceptors. Upon excitation, the complexes undergo rapid triplet-triplet energy transfer (TTET) to the acceptor excited states. This report describes five bis-cyclometalated iridium complexes using two different pyrene-substituted isocyanides with the general formula [Ir(C^N)2(CNAr)2]PF6

  非线性光学（NLO）材料能够调制电磁辐射的响应，从而导致对现代电信技术至关重要的现象。过去二十年，分子非线性发色团领域取得了重大进展，特别是在反饱和吸收（RSA）方面。在这里，我们介绍了一种强激发态吸收（ESA）策略，其中涉及双环金属化铱配合物与芘三线态受体修饰的异氰化物辅助配体。激发后，复合物经历快速三线态-三线态能量转移（TTET）到受体激发态。本报告描述了使用两种不同的芘取代异氰化物的五种双环金属化铱配合物，其通式为 [Ir(C^N) 2 (CNAr) 2 ]PF 6（C^N = 环金属化配体，CNAr = 异氰化物辅助配体：CNAr pyr = 2,6-二甲基-4-(1-芘基)苯基异氰化物，CNpyr = 1-芘基异氰化物)。通过1 H 和13 C 1 H} NMR 光谱、傅里叶变换红外光谱和电喷雾电离质谱对合成的配合物进行了彻底表征。通过紫外可见吸收、稳态和时间分辨光致发光以及
• TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF
  申请人：LION Bioscience AG

  公开号：EP1189891A1

  公开（公告）日：2002-03-27
• US6362342B1
  申请人：——

  公开号：US6362342B1

  公开（公告）日：2002-03-26
• [EN] TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF<br/>[FR] COMPOSES DE TRIAZOLE ET LEURS BIBLIOTHEQUES COMBINATOIRES
  申请人：TREGA BIOSCIENCES INC

  公开号：WO2001000594A1

  公开（公告）日：2001-01-04

  The present invention relates to novel triazole compounds of formula (A), wherein R1 to R5 have the meanings provided herein. The invention further relates to combinatorial libraries containing two or more such compounds, as well as methods of preparing triazole compounds.
• N-Heterocyclic carbene containing element organic frameworks as heterogeneous organocatalysts
  作者：Marcus Rose、Andreas Notzon、Maja Heitbaum、Georg Nickerl、Silvia Paasch、Eike Brunner、Frank Glorius、Stefan Kaskel

  DOI：10.1039/c1cc10268k

  日期：——

  A bifunctional imidazolium linker was used for the production of highly crosslinked element organic frameworks by Suzuki-coupling with tetrafunctional boronic acids. The resulting porous materials are good heterogeneous organocatalysts in the N-heterocyclic carbene-catalyzed conjugated umpolung of α,β-unsaturated cinnamaldehyde.

  使用了双功能咪唑鎓连接剂，通过与四功能硼酸进行铃木偶联反应，制备了高度交联的有机元素框架。所得多孔材料在N-杂环卡宾催化的α,β-不饱和肉桂醛的共轭成键反应中表现出良好的非均相有机催化性能。