4,5-dimethoxy-2-(4-methylbenzoyl)-1-(4-methylphenylsulfonamido)benzene | 383895-73-6

• 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-dimethoxy-2-(4-methylbenzoyl)-1-(4-methylphenylsulfonamido)benzene
• 英文别名: N-[4,5-dimethoxy-2-(4-methylbenzoyl)phenyl]-4-methylbenzenesulfonamide
• CAS: 383895-73-6
• 化学式: C₂₃H₂₃NO₅S
• 分子量: 425.505
• InChiKey: LFJIGOPQJAQMJO-UHFFFAOYSA-N

物化性质

• 熔点：
  195-196 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
• 沸点：
  618.4±65.0 °C(Predicted)
• 密度：
  1.261±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  90.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,5-dimethoxy-2-(4-methylbenzoyl)-1-(4-methylphenylsulfonamido)benzene 在 盐酸 、 sodium tetrahydroborate 、 对甲苯磺酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 4-[5,6-dimethoxy-3-(4-methylphenyl)-1-(4-methylphenylsulfonyl)-1H-2-indolyl]-2-butanone
  参考文献：
  名称：

  Simple route to 3-(2-indolyl)-1-propanones via a furan recyclization reaction

  摘要：

  A simple route to 1-R-3-(2-indolyl)-1-propanones has been elaborated based on recyclization of 2-(2-aminobenzyl)furan derivatives. Being a modification of the Reissert indole synthesis, our approach employs the furan ring as a source of carbonyl function. This approach is general and allows varying of substituents in aromatic ring as well as in 3-position of indole nucleus. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.10.056
• 作为产物：
  描述：

  (3,4-二甲氧基苯基)(4-甲基苯基)甲酮 在 吡啶 、 硝酸 、 铁粉 、 溶剂黄146 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 7.5h， 生成 4,5-dimethoxy-2-(4-methylbenzoyl)-1-(4-methylphenylsulfonamido)benzene
  参考文献：
  名称：

  Simple route to 3-(2-indolyl)-1-propanones via a furan recyclization reaction

  摘要：

  A simple route to 1-R-3-(2-indolyl)-1-propanones has been elaborated based on recyclization of 2-(2-aminobenzyl)furan derivatives. Being a modification of the Reissert indole synthesis, our approach employs the furan ring as a source of carbonyl function. This approach is general and allows varying of substituents in aromatic ring as well as in 3-position of indole nucleus. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.10.056

文献信息

• Simple route to 3-(2-indolyl)-1-propanones via a furan recyclization reaction
  作者：Alexander V. Butin、Sergey K. Smirnov、Tatyana A. Stroganova、Wolfgang Bender、Gennady D. Krapivin

  DOI：10.1016/j.tet.2006.10.056

  日期：2007.1

  A simple route to 1-R-3-(2-indolyl)-1-propanones has been elaborated based on recyclization of 2-(2-aminobenzyl)furan derivatives. Being a modification of the Reissert indole synthesis, our approach employs the furan ring as a source of carbonyl function. This approach is general and allows varying of substituents in aromatic ring as well as in 3-position of indole nucleus. (c) 2006 Elsevier Ltd. All rights reserved.