5-bromo-2-methyl-benzofuran-3-one | 126224-79-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 5-bromo-2-methyl-benzofuran-3-one
• 英文别名: 5-Bromo-2-methyl-2,3-dihydro-1-benzofuran-3-one；5-bromo-2-methyl-1-benzofuran-3-one
• CAS: 126224-79-1
• 化学式: C₉H₇BrO₂
• 分子量: 227.057
• InChiKey: PHMGSVNWPDXFLL-UHFFFAOYSA-N

物化性质

• 熔点：
  45-47 °C
• 沸点：
  317.4±42.0 °C(Predicted)
• 密度：
  1.596±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  5-bromo-2-methyl-benzofuran-3-one 生成 2-methyl-5-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-1-benzofuran-3-one
  参考文献：
  名称：

  KOBAYASI, MITIXIRO;KITASAVA, MAKIO;AKABA, MASUO;NAKANO, YASUSI;XAYAKAVA, +

  摘要：

  DOI：
• 作为产物：
  描述：

  2-bromo-1-(5-bromo-2-hydroxy-phenyl)-propan-1-one 生成 5-bromo-2-methyl-benzofuran-3-one
  参考文献：
  名称：

  KOBAYASI, MITIXIRO;KITASAVA, MAKIO;AKABA, MASUO;NAKANO, YASUSI;XAYAKAVA, +

  摘要：

  DOI：

文献信息

• Synthesis of benzofuro[3,2-b]indoline amines via deamination-interrupted Fischer indolization and their unexpected reactivity towards nucleophiles
  作者：Terry Tomakinian、Régis Guillot、Cyrille Kouklovsky、Guillaume Vincent

  DOI：10.1039/c6cc00365f

  日期：——

  We report the access to the benzofuro[3,2-b]indoline framework via an interrupted Fischer indolization and its unexpected reactivity towards allyl nucleophiles.

  我们报告通过中断的菲舍尔吲哚及其对烯丙基亲核试剂的意外反应性访问苯并呋喃[3,2- b ]二氢吲哚骨架。
• INDOLYLMALEIMIDE DERIVATIVES
  申请人：Van Eis Maurice

  公开号：US20100041693A1

  公开（公告）日：2010-02-18

  A compound of formula (I) wherein R denotes another heterocylic residue and wherein R a , R b , R c , R d and R e , are as defined in the specification, processes for their production, their uses, in particular in transplantation, and pharmaceutical compositions containing them.

  一种化合物，其化学式为(I)，其中R表示另一种杂环残基，而Ra、Rb、Rc、Rd和Re如说明书中所定义，其制备过程、用途，特别是在移植中的应用，以及含有它们的制药组合物。
• Indolylmaleimide derivatives processes for their production and pharmaceutical compositions
  申请人：Novartis AG

  公开号：US08193236B2

  公开（公告）日：2012-06-05

  A compound of formula (I) wherein R denotes another heterocylic residue and wherein Ra, Rb, Rc, Rd and Re, are as defined in the specification, processes for their production, their uses, in particular in transplantation, and pharmaceutical compositions containing them.

  一种化合物，其化学式为(I)，其中R表示另一种杂环残基，而Ra、Rb、Rc、Rd和Re如规范中定义，以及它们的制备方法、它们的用途，特别是在移植中的用途，以及含有它们的药物组合物。
• INDOLYLMALEIMIDE DERIVATIVES PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS
  申请人：VAN EIS Maurice

  公开号：US20120219593A1

  公开（公告）日：2012-08-30

  A compound of formula (I) wherein R denotes another heterocyclic residue and wherein R a , R b , R c , R d and R e , are as defined in the specification, processes for their production, their uses, in particular in transplantation, and pharmaceutical compositions containing them.

  一种化合物，其化学式为(I)，其中R表示另一种杂环残基，Ra、Rb、Rc、Rd和Re如说明书中所定义，以及它们的制备方法、用途，特别是在移植方面的应用，以及含有它们的制药组合物。
• Hammet Constants Effects in Microwave Cascade Etherification-Cyclization-Krapcho Reaction to Access [2,3]-Dihydrobenzofuran-3-ones from Salicylic Derivatives
  作者：Daniel Farran、Philippe Bertrand

  DOI：10.1080/00397911.2010.533806

  日期：2012.4.1

  Two methods were evaluated for the synthesis of substituted [2,3]-dihydro-2-methyl-benzofuran-3-ones from corresponding salicylate esters under microwave irradiation. A two-step sequence via ether intermediates was convenient for various substituted salicylate derivatives, while the second strategy involving a one-pot procedure was efficient for electron-donating substituted salicylates. Results allowed correlation of the Hammett constants effects in the intramolecular cyclization of O-ethoxycarbonyl ether of salicylic esters.