2-(1-cyano-1-phenylmethylidene)-4-(hydroxymethyl)-3-butyl-1,3-thiazolidine

• 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: 2-(1-cyano-1-phenylmethylidene)-4-(hydroxymethyl)-3-butyl-1,3-thiazolidine
• 英文别名: (2E)-2-[3-butyl-4-(hydroxymethyl)-1,3-thiazolidin-2-ylidene]-2-phenylacetonitrile
• 化学式: C₁₆H₂₀N₂OS
• 分子量: 288.414
• InChiKey: JOKYYTXRISEHOQ-NXVVXOECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.09
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  47.26
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  苯乙腈 、 丁基异硫氰酸酯 、 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-phenylmethylidene)-4-(hydroxymethyl)-3-butyl-1,3-thiazolidine 、 2-(1-cyano-1-phenylmethylidene)-4-(hydroxymethyl)-3-butyl-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.