4,5-dibromo-2-methylaniline | 102170-00-3

• 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: 4,5-dibromo-2-methylaniline
• 英文别名: 4,5-Dibrom-2-methyl-anilin；4.5-Dibrom-o-toluidin；4.5-Dibrom-2-amino-toluol
• CAS: 102170-00-3
• 化学式: C₇H₇Br₂N
• 分子量: 264.947
• InChiKey: GLTYHLAHYRPDMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,5-dibromo-2-methylaniline 生成 1,2,4-三溴--5-甲苯
  参考文献：
  名称：

  Nevile; Winther, Chemische Berichte, 1881, vol. 14, p. 418

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-二溴甲苯 在 盐酸 、 tin 作用下， 生成 4,5-dibromo-2-methylaniline
  参考文献：
  名称：

  Wroblewski, Justus Liebigs Annalen der Chemie, 1873, vol. 168, p. 153

  摘要：

  DOI：

文献信息

• Bifunctional Indenyl-Derived Receptors for Fluoride Chelation and Detection
  作者：Rémi Tirfoin、Joseph A. B. Abdalla、Simon Aldridge

  DOI：10.1002/chem.201501547

  日期：2015.8.10

  are accessible which are capable of cooperative fluoride ion fixation. Simultaneous binding at the borane and phosphonium centres can be established by spectroscopic, structural and computational approaches, and is responsible for the favourable thermodynamics associated with F− uptake. Thus, in contrast to simple BMes2 systems, the binding of fluoride is found to be more favourable than the uptake

  基于[CpFe（茚基）]支架的阴离子受体为将相邻的Lewis酸性功能结合到六元碳环骨架上提供了可能性，同时保留了比色/电化学报告分子机制可用于合成简单的二茂铁系统。因此，可以使用具有相互邻位的BMes 2和PPh 2 Me +取代基（具有4,5或5,6区域化学）的[CpFe（茚基）]系统，该系统能够协同固定氟离子。同时在硼和磷中心结合可以通过光谱，结构和计算方法来建立，并负责以F相关的有利热力学-摄取。因此，与简单的BMes 2系统相比，发现氟化物的结合比氰化物（仅与硼烷路易斯酸相互作用）的吸收更有利。此外，在4-（MePh 2 P）-5（Mes 2 B）-7-Me-茚基衍生物的情况下，氟化物螯合不仅通过Fe II / Fe III电位的大阴极位移来指示（在THF中> 500 mV），而且从绿色（对于自由受体而言）到加合物的栗色都有明显的颜色变化。
• Nevile; Winther, Chemische Berichte, 1880, vol. 13, p. 963
  作者：Nevile、Winther

  DOI：——

  日期：——
• RADIOSENSITIZER COMPOUNDS FOR USE IN COMBINATION WITH RADIATION
  申请人：LU Qing-Bin

  公开号：US20150343059A1

  公开（公告）日：2015-12-03

  Disclosed herein are radiosensitizer compounds useful in combination with radiation therapy, e.g., a synergistic combination therapy for the treatment of cancer and other disorders. The radiosensitizer compounds have the general formula I: wherein A represents an aromatic core; at least one of R a and R b is an electron transfer promoter as defined herein, e.g., NH 2 ; and at least one of R c is a leaving group as defined herein, e.g., halogen; and the remainder of the molecule is as defined herein. Pharmaceutical compositions, methods, uses, kits and commercial packages comprising the radiosensitizer compounds are also disclosed.
• NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY
  申请人：LU Qing-Bin

  公开号：US20160235743A1

  公开（公告）日：2016-08-18

  Disclosed herein are non-platinum-based (NPB) anti-cancer compounds useful for targeted chemotherapy, e.g., to generate anti-cancer effects for the treatment of cancer and other disorders while having no or minimal toxicity. The compounds N have the general formula I: (I) wherein A represents an aromatic core; at least one of R a and R b is an electron transfer promoter as defined herein, e.g., NH 2 ; and at least one of R c is a leaving group as defined herein, e.g., halogen; and the remainder of the molecule is as defined herein. Pharmaceutical compositions, methods, uses, kits and commercial packages comprising the anti-cancer compounds are also disclosed.
• US9655965B2
  申请人：——

  公开号：US9655965B2

  公开（公告）日：2017-05-23