2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]-1-(4-methoxyphenyl)ethanone | 215813-37-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]-1-(4-methoxyphenyl)ethanone
• 英文别名: 2-(2-(4-Methoxyphenyl)-1,3-dithian-2-yl)-1-(4-methoxyphenyl)ethanone；1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]ethanone
• CAS: 215813-37-9
• 化学式: C₂₀H₂₂O₃S₂
• 分子量: 374.525
• InChiKey: PPAZQKGKWGFICO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  86.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]-1-(4-methoxyphenyl)ethanone 在 盐酸羟胺 作用下， 以 吡啶 为溶剂， 生成 (E)-2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]-1-(4-methoxyphenyl)ethanone oxime 、 (Z)-2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]-1-(4-methoxyphenyl)ethanone oxime
  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：

  1,3-丙二硫醇 、 1,3-bis(4-methoxyphenyl)prop-2-yn-1-one 在 sodium methylate 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 以36%的产率得到2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]-1-(4-methoxyphenyl)ethanone
  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