2-[1-cyano-1-(4-methoxyphenyl)methylidene]-4-(hydroxymethyl)-3-allyl-1,3-thiazolidine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[1-cyano-1-(4-methoxyphenyl)methylidene]-4-(hydroxymethyl)-3-allyl-1,3-thiazolidine
• 英文别名: (2E)-2-[4-(hydroxymethyl)-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-2-(4-methoxyphenyl)acetonitrile
• 化学式: C₁₆H₁₈N₂O₂S
• 分子量: 302.397
• InChiKey: UGDDGLLKROCYRK-NXVVXOECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.48
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  56.49
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  对甲氧基苯乙腈 、 天然芥菜籽油 、 环氧溴丙烷 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 2-[1-cyano-1-(4-methoxyphenyl)methylidene]-4-(hydroxymethyl)-3-allyl-1,3-thiazolidine 、 2-[1-cyano-1-(4-methoxyphenyl)methylidene]-4-(hydroxymethyl)-3-allyl-1,3-thiazolidine
  参考文献：
  名称：

  One-pot cyclization of dilithiated nitriles with isothiocyanates and epibromohydrin. Synthesis of 2-cyano-1-(hydroxymethyl)cyclopropanes and 2-cyanomethylidene-4-(hydroxymethyl)thiazolidines

  摘要：

  The cyclization of dilithiated nitriles with epibromohydrin afforded 2-cyano-1-(hydroxymethyl)cyclopropanes. 2-Cyanomethylidene-(4-hydroxymethyl)thiazolidines were prepared by one-pot cyclization of dilithiated nitriles with isothiocyanates and epibromohydrin. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.03.072

文献信息

• One-pot cyclization of dilithiated nitriles with isothiocyanates and epibromohydrin. Synthesis of 2-cyano-1-(hydroxymethyl)cyclopropanes and 2-cyanomethylidene-4-(hydroxymethyl)thiazolidines
  作者：Uwe Albrecht、Ilia Freifeld、Helmut Reinke、Peter Langer

  DOI：10.1016/j.tet.2006.03.072

  日期：2006.6

  The cyclization of dilithiated nitriles with epibromohydrin afforded 2-cyano-1-(hydroxymethyl)cyclopropanes. 2-Cyanomethylidene-(4-hydroxymethyl)thiazolidines were prepared by one-pot cyclization of dilithiated nitriles with isothiocyanates and epibromohydrin. (c) 2006 Elsevier Ltd. All rights reserved.