N-((1S,2S)-1-Diethoxymethyl-2-methyl-butyl)-3-hydroxy-2-methoxy-N-methyl-benzamide | 866528-85-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: N-((1S,2S)-1-Diethoxymethyl-2-methyl-butyl)-3-hydroxy-2-methoxy-N-methyl-benzamide
• 英文别名: N-[(2S,3S)-1,1-diethoxy-3-methylpentan-2-yl]-3-hydroxy-2-methoxy-N-methylbenzamide
• CAS: 866528-85-0
• 化学式: C₁₉H₃₁NO₅
• 分子量: 353.459
• InChiKey: IVHAYBDLTRDCQV-BBRMVZONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  68.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-((1S,2S)-1-Diethoxymethyl-2-methyl-butyl)-3-hydroxy-2-methoxy-N-methyl-benzamide 在 camphor-10-sulfonic acid 作用下， 以 甲苯 为溶剂， 反应 22.0h， 以71%的产率得到3-((S)-sec-Butyl)-7,8-dihydroxy-2-methyl-2H-isoquinolin-1-one
  参考文献：
  名称：

  Studies towards the total synthesis of Sch 56036; isoquinolinone synthesis and the synthesis of phenanthrenes

  摘要：

  The isoquinolinone hemisphere of Sch 56036 has been prepared using a modified Pomeranz-Fritsch reaction and the synthesis of the phenanthrene core has been modelled via a Suzuki coupling and subsequent ring closing metathesis. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.07.084
• 作为产物：
  描述：

  Toluene-4-sulfonic acid 3-[((1S,2S)-1-diethoxymethyl-2-methyl-butyl)-methyl-carbamoyl]-2-methoxy-phenyl ester 在 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 反应 17.0h， 以98%的产率得到N-((1S,2S)-1-Diethoxymethyl-2-methyl-butyl)-3-hydroxy-2-methoxy-N-methyl-benzamide
  参考文献：
  名称：

  Studies towards the total synthesis of Sch 56036; isoquinolinone synthesis and the synthesis of phenanthrenes

  摘要：

  The isoquinolinone hemisphere of Sch 56036 has been prepared using a modified Pomeranz-Fritsch reaction and the synthesis of the phenanthrene core has been modelled via a Suzuki coupling and subsequent ring closing metathesis. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.07.084

文献信息

• Studies towards the total synthesis of Sch 56036; isoquinolinone synthesis and the synthesis of phenanthrenes
  作者：Edward R. Walker、Shing Y. Leung、Anthony G.M. Barrett

  DOI：10.1016/j.tetlet.2005.07.084

  日期：2005.9

  The isoquinolinone hemisphere of Sch 56036 has been prepared using a modified Pomeranz-Fritsch reaction and the synthesis of the phenanthrene core has been modelled via a Suzuki coupling and subsequent ring closing metathesis. (c) 2005 Elsevier Ltd. All rights reserved.