4-bromo-N-(2-ethoxyethyl)-N-methylaniline | 279261-95-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-bromo-N-(2-ethoxyethyl)-N-methylaniline
• CAS: 279261-95-9
• 化学式: C₁₁H₁₆BrNO
• 分子量: 258.158
• InChiKey: YSHVUIUWVHZWBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  bis-(3-bromo-butyl)-ether 、 4-溴-N-甲基苯胺 在 sodium iodide 、 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-bromo-N-(2-ethoxyethyl)-N-methylaniline
  参考文献：
  名称：

  Anilide derivative, production and use thereof

  摘要：

  这项发明提供了以下式的化合物： 其中R1是一个可选择取代的5至6成员环；环A是一个可选择取代的6至7成员环；环B是一个可选择取代的苯环；n是1或2的整数；Z是化学键或二价基团；R2是(1)一个可选择取代的氨基团，其中氮原子可以形成季铵盐，(2)一个可选择取代的含氮杂环环基团，可能含有硫原子或氧原子作为环构成原子，其中氮原子可以形成季铵盐，(3)通过硫原子结合的基团或(4)下式的基团： 其中k为0或1，当k为0时，磷原子可以形成磷铵盐；R5和R6分别是可选择取代的碳氢基团、可选择取代的羟基或可选择取代的氨基团，R5和R6可以结合在一起与相邻的磷原子形成环状基团，或其盐，用于拮抗CCR5并用于预防和治疗HIV感染疾病。

  公开号：

  US06235771B1

文献信息

• BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1140896A1

  公开（公告）日：2001-10-10
• US6235771B1
  申请人：——

  公开号：US6235771B1

  公开（公告）日：2001-05-22
• [EN] BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5<br/>[FR] DERIVES DE BENZOTHIEPIN-ANILIDE, PRODUCTION ET UTILISATION COMME ANTAGONISTE DE CCR-5
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2000037455A1

  公开（公告）日：2000-06-29

  This invention is to provide compound of formula (I) wherein R1 is an optionally substituted 5- to 6-membered ring; the ring A is an optionally substituted 6- to 7-membered ring; the ring B is an optionally substituted benzene ring; n is an integer of 1 or 2; Z is a chemical bond or a divalent group; R2 is (1) an optionally substituted amino group in which a nitrogen atom may form a quaternary ammonium, (2) an optionally substituted nitrogen-containing heterocyclic ring group which may contain a sulfur atom or an oxygen atom as ring constituting atoms and wherein a nitrogen atom may form a quaternary ammonium, (3) a group binding through a sulfur atom or (4) a group of formula (a); wherein k is 0 or 1, and when k is 0, a phosphorus atom may form a phosphonium; and R?5 and R6¿ are independently an optionally substituted hydrocarbon group, an optionally substituted hydroxy group or an optionally substituted amino group, and R?5 and R6¿ may bind to each other to form a cyclic group together with the adjacent phosphorus atom, or a salt thereof, which is useful for antagonizing CCR5 and also for the prevention and treatment of infectious disease of HIV.
• Anilide derivative, production and use thereof
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06235771B1

  公开（公告）日：2001-05-22

  This invention is to provide a compound of the formula: wherein R1 is an optionally substituted 5- to 6-membered ring; the ring A is an optionally substituted 6- to 7-membered ring; the ring B is an optionally substituted benzene ring; n is an integer of 1 or 2; Z is a chemical bond or a divalent group; R2 is (1) an optionally substituted amino group in which a nitrogen atom may form a quaternary ammonium, (2) an optionally substituted nitrogen-containing heterocyclic ring group which may contain a sulfur atom or an oxygen atom as ring constituting atoms and wherein a nitrogen atom may form a quaternary ammonium, (3) a group binding through a sulfur atom or (4) a group of the formula:  wherein k is 0 or 1, and when k is 0, a phosphorus atom may form a phosphonium; and R5 and R6 are independently an optionally substituted hydrocarbon group, an optionally substituted hydroxy group or an optionally substituted amino group, and R5 and R6 may bind to each other to form a cyclic group together with the adjacent phosphorus atom, or a salt thereof , which is useful for antagonizing CCR5 and also for the prevention and treatment of infectious disease of HIV.

  这项发明提供了以下式的化合物： 其中R1是一个可选择取代的5至6成员环；环A是一个可选择取代的6至7成员环；环B是一个可选择取代的苯环；n是1或2的整数；Z是化学键或二价基团；R2是(1)一个可选择取代的氨基团，其中氮原子可以形成季铵盐，(2)一个可选择取代的含氮杂环环基团，可能含有硫原子或氧原子作为环构成原子，其中氮原子可以形成季铵盐，(3)通过硫原子结合的基团或(4)下式的基团： 其中k为0或1，当k为0时，磷原子可以形成磷铵盐；R5和R6分别是可选择取代的碳氢基团、可选择取代的羟基或可选择取代的氨基团，R5和R6可以结合在一起与相邻的磷原子形成环状基团，或其盐，用于拮抗CCR5并用于预防和治疗HIV感染疾病。