4-bromo-6-methoxy-2,3-dihydro-1H-inden-1-one | 98946-95-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 4-bromo-6-methoxy-2,3-dihydro-1H-inden-1-one
• 英文别名: 4-bromo-6-methoxy-indan-1-one；4-Brom-6-methoxy-indan-1-on；4-bromo-6-methoxy-2,3-dihydroinden-1-one
• CAS: 98946-95-3
• 化学式: C₁₀H₉BrO₂
• 分子量: 241.084
• InChiKey: VIDXHBZUGHZQPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-bromo-6-methoxy-2,3-dihydro-1H-inden-1-one 在 对甲苯磺酸 、 臭氧 作用下， 以 乙醚 、 二氯甲烷 、 甲苯 为溶剂， 反应 43.08h， 生成 5-bromo-7-methoxy-1-methylisochroman
  参考文献：
  名称：

  Cyclotrimerization of unsymmetrically bromo-substituted diynes: toward the synthesis of potential selective inhibitors of tyrosine kinase 2

  摘要：

  A study on transition metal catalyzed alkyne cyclotrimerization of unsymmetrically bromo-substituted diynes with ethynyltrimethylsilane was carried out to prepare bicyclic bromobenzene key intermediates for the total synthesis of five potential tyrosine kinase 2 inhibitors. Two different pre-catalysts (Cp*RuCl(cod) and [Rh(cod)(2)]BF4/BINAP) and different reaction conditions have been examined. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.07.087
• 作为产物：
  描述：

  2-溴-4-甲氧基苯甲醛 在 aluminum (III) chloride 、 氯化亚砜 、 5% rhodium on alumina 、 氢气 、 sodium hydride 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 55.58h， 生成 4-bromo-6-methoxy-2,3-dihydro-1H-inden-1-one
  参考文献：
  名称：

  Cyclotrimerization of unsymmetrically bromo-substituted diynes: toward the synthesis of potential selective inhibitors of tyrosine kinase 2

  摘要：

  A study on transition metal catalyzed alkyne cyclotrimerization of unsymmetrically bromo-substituted diynes with ethynyltrimethylsilane was carried out to prepare bicyclic bromobenzene key intermediates for the total synthesis of five potential tyrosine kinase 2 inhibitors. Two different pre-catalysts (Cp*RuCl(cod) and [Rh(cod)(2)]BF4/BINAP) and different reaction conditions have been examined. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.07.087

文献信息

• Lora-Tamayo; Alberola, Anales de la Real Sociedad Espanola de Fisica y Quimica, 1957, vol. <B> 53, p. 51,61
  作者：Lora-Tamayo、Alberola

  DOI：——

  日期：——
• Alberola et al., Anales de la Real Sociedad Espanola de Fisica y Quimica, Serie B: Quimica, 1959, vol. 55, p. 683,689
  作者：Alberola et al.

  DOI：——

  日期：——
• Lora-Tamayo; Alberola, Anales de la Real Sociedad Espanola de Fisica y Quimica, Serie B: Quimica, 1957, vol. 53, p. 51,56
  作者：Lora-Tamayo、Alberola

  DOI：——

  日期：——
• Cyclotrimerization of unsymmetrically bromo-substituted diynes: toward the synthesis of potential selective inhibitors of tyrosine kinase 2
  作者：Silje Melnes、Annette Bayer、Odd Reidar Gautun

  DOI：10.1016/j.tet.2012.07.087

  日期：2012.10

  A study on transition metal catalyzed alkyne cyclotrimerization of unsymmetrically bromo-substituted diynes with ethynyltrimethylsilane was carried out to prepare bicyclic bromobenzene key intermediates for the total synthesis of five potential tyrosine kinase 2 inhibitors. Two different pre-catalysts (Cp*RuCl(cod) and [Rh(cod)(2)]BF4/BINAP) and different reaction conditions have been examined. (C) 2012 Elsevier Ltd. All rights reserved.