1-(4-溴-2-氟苯基)-N,N-二甲基甲胺 | 1159976-88-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(4-溴-2-氟苯基)-N,N-二甲基甲胺
• 英文名称: N,N-dimethyl-4-bromo-2-fluorobenzylamine
• 英文别名: (4-Bromo-2-fluoro-benzyl)-dimethyl-amine；1-(4-bromo-2-fluorophenyl)-N,N-dimethylmethanamine
• CAS: 1159976-88-1
• 化学式: C₉H₁₁BrFN
• mdl: MFCD06795894
• 分子量: 232.095
• InChiKey: RVBVGSSIQVBEDT-UHFFFAOYSA-N

物化性质

• 沸点：
  224.8±25.0 °C(Predicted)
• 密度：
  1.394±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为产物：
  描述：

  4-溴-2-氟苄溴 、 二甲胺 在 potassium carbonate 作用下， 以 水 为溶剂， 反应 0.17h， 以100%的产率得到1-(4-溴-2-氟苯基)-N,N-二甲基甲胺
  参考文献：
  名称：

  Role of Linkers in Tertiary Amines That Mediate or Catalyze 1,3,5-Triazine-Based Amide-Forming Reactions

  摘要：

  We studied 1,3,5-triazine-based amide-forming reactions that are mediated or catalyzed by various tert-amines. The representative tert-amine was trimethylamine, which has amido, 1,2,3-triazolyl, aryl, and alkyl linkers. It was found that electron-deficient aryl and heteroaryl linkers, particularly 1,2,3-triazolyl linkers, are superior. On the basis of our findings, we synthesized ligand catalysts, including a 1,2,3-triazolyl linker that connects a protein ligand to a trimethylamine moiety, and found that fluorescent-labeling of a targeting protein using the ligand catalysts proceeded in good yields.

  DOI：

  10.1021/jo500376m

文献信息

• SULFONYL-SUBSTITUTED BENZOHETEROCYCLIC DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF
  申请人：SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD

  公开号：US20190300506A1

  公开（公告）日：2019-10-03

  The present invention relates to a sulfonyl-substituted benzoheterocyclic derivative, a preparation method and medical use thereof. Particularly, disclosed is a compound of formula (I) or a pharmaceutically acceptable salt, stereoisomer, solvate, or prodrug thereof, and a preparation method and application thereof. The definition of each group in the formula can be found in the specification and the claims.

  本发明涉及一种磺酰基取代的苯杂环衍生物，其制备方法和医疗用途。特别地，公开了一种符合式(I)的化合物或其药学上可接受的盐、立体异构体、溶剂合物或前药，以及其制备方法和应用。在公开说明书和权利要求中可以找到该式中每个基团的定义。
• Sulfuryl-substituted benzoheterocyclic derivative, preparation method and medical use thereof
  申请人：SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD.

  公开号：US10793549B2

  公开（公告）日：2020-10-06

  The present invention relates to a sulfuryl-substituted benzoheterocyclic derivative, a preparation method and medical use thereof. Particularly, disclosed is a compound of formula (I) or a pharmaceutically acceptable salt, stereoisomer, solvate, or prodrug thereof, and a preparation method and application thereof. The definition of each group in the formula can be found in the specification and the claims.

  本发明涉及一种硫基取代的苯并杂环衍生物及其制备方法和医疗用途。特别是公开了式(I)化合物或其药学上可接受的盐、立体异构体、溶媒或原药及其制备方法和应用。式中各基团的定义可参见说明书和权利要求书。
• Role of Linkers in Tertiary Amines That Mediate or Catalyze 1,3,5-Triazine-Based Amide-Forming Reactions
  作者：Masanori Kitamura、Fumitaka Kawasaki、Kouichi Ogawa、Shuichi Nakanishi、Hiroyuki Tanaka、Kohei Yamada、Munetaka Kunishima

  DOI：10.1021/jo500376m

  日期：2014.4.18

  We studied 1,3,5-triazine-based amide-forming reactions that are mediated or catalyzed by various tert-amines. The representative tert-amine was trimethylamine, which has amido, 1,2,3-triazolyl, aryl, and alkyl linkers. It was found that electron-deficient aryl and heteroaryl linkers, particularly 1,2,3-triazolyl linkers, are superior. On the basis of our findings, we synthesized ligand catalysts, including a 1,2,3-triazolyl linker that connects a protein ligand to a trimethylamine moiety, and found that fluorescent-labeling of a targeting protein using the ligand catalysts proceeded in good yields.