N-{2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]-1-(4-methoxyphenyl)ethyl}acetamide | 215813-63-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-{2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]-1-(4-methoxyphenyl)ethyl}acetamide
• 英文别名: N-[1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]ethyl]acetamide
• CAS: 215813-63-1
• 化学式: C₂₂H₂₇NO₃S₂
• 分子量: 417.593
• InChiKey: FWXAKPJMNPESII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  98.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-{2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]-1-(4-methoxyphenyl)ethyl}acetamide 在 chloroamine-T 作用下， 以 甲醇 、 水 为溶剂， 反应 0.17h， 以89%的产率得到N-(1,3-bis(4-methoxyphenyl)-3-oxopropyl)acetamide
  参考文献：
  名称：

  1,3-Diphenylpropane-1,3-diamines XII [1]. A Novel Approach to Stereodefined Oximes and Oxime Ethers of Monothioketalized 1,3-Diketones and their Conversion to 3-Aminooximes

  摘要：

  Mono-O,O- and mono-S,S-ketals of 1,3-diphenylpropane-1,3-diones react with hydroxylamine hydrochloride and O-methylhydroxylamine hydrochloride affording mixtures of (E/Z) isomers which are hard to separate or an even unseparable. Isomerically pure oximes and O-methyloximes, however, are obtained either from 2-lithiated 1,3-dithianes and alpha-halogeno-oximes and alpha-halogeno-oxime ethers, resp., or from lithiated oxime ethers and dithienium salts. Reduction, acetylation, hydrolysis of the ketal increment, and oximation afford 3-amino-oximes which are precursors of 1,3-diphenylpropane-1,3-diamines.

  DOI：

  10.1007/pl00013502
• 作为产物：
  描述：

  (E/Z)-2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]-1-(4-methoxyphenyl)ethanone O-methyloxime 在 吡啶 、 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 N-{2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]-1-(4-methoxyphenyl)ethyl}acetamide
  参考文献：
  名称：

  1,3-Diphenylpropane-1,3-diamines XII [1]. A Novel Approach to Stereodefined Oximes and Oxime Ethers of Monothioketalized 1,3-Diketones and their Conversion to 3-Aminooximes

  摘要：

  Mono-O,O- and mono-S,S-ketals of 1,3-diphenylpropane-1,3-diones react with hydroxylamine hydrochloride and O-methylhydroxylamine hydrochloride affording mixtures of (E/Z) isomers which are hard to separate or an even unseparable. Isomerically pure oximes and O-methyloximes, however, are obtained either from 2-lithiated 1,3-dithianes and alpha-halogeno-oximes and alpha-halogeno-oxime ethers, resp., or from lithiated oxime ethers and dithienium salts. Reduction, acetylation, hydrolysis of the ketal increment, and oximation afford 3-amino-oximes which are precursors of 1,3-diphenylpropane-1,3-diamines.

  DOI：

  10.1007/pl00013502

文献信息

• 1,3-Diphenylpropane-1,3-diamines XII [1]. A Novel Approach to Stereodefined Oximes and Oxime Ethers of Monothioketalized 1,3-Diketones and their Conversion to 3-Aminooximes
  作者：Alexander Kaiser、Wolfgang Wiegrebe

  DOI：10.1007/pl00013502

  日期：1998.9

  Mono-O,O- and mono-S,S-ketals of 1,3-diphenylpropane-1,3-diones react with hydroxylamine hydrochloride and O-methylhydroxylamine hydrochloride affording mixtures of (E/Z) isomers which are hard to separate or an even unseparable. Isomerically pure oximes and O-methyloximes, however, are obtained either from 2-lithiated 1,3-dithianes and alpha-halogeno-oximes and alpha-halogeno-oxime ethers, resp., or from lithiated oxime ethers and dithienium salts. Reduction, acetylation, hydrolysis of the ketal increment, and oximation afford 3-amino-oximes which are precursors of 1,3-diphenylpropane-1,3-diamines.