Dithiocarbonic acid S-{3-cyano-1-[(4-methoxy-phenylcarbamoyl)-methyl]-propyl} ester O-ethyl ester | 869667-23-2

• 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: Dithiocarbonic acid S-{3-cyano-1-[(4-methoxy-phenylcarbamoyl)-methyl]-propyl} ester O-ethyl ester
• 英文别名: O-ethyl [5-cyano-1-(4-methoxyanilino)-1-oxopentan-3-yl]sulfanylmethanethioate
• CAS: 869667-23-2
• 化学式: C₁₆H₂₀N₂O₃S₂
• 分子量: 352.478
• InChiKey: FNVUOXBCHIJYHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  129
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Dithiocarbonic acid S-{3-cyano-1-[(4-methoxy-phenylcarbamoyl)-methyl]-propyl} ester O-ethyl ester 在 过氧化双月桂酰 作用下， 以 氯苯 为溶剂， 以28%的产率得到3-(6-methoxy-2-oxo-1,2,3,4-tetrahydro-quinolin-4-yl)-propionitrile
  参考文献：
  名称：

  Access to 4-substituted 3,4-dihydroquinolin-2(1H)-ones by an unusual radical cyclisation of a secondary amide

  摘要：

  A novel route to 3,4-dihydroquinolin-2(1H)-ones involving two radical addition steps is reported, starting from readily accessible xanthates and N-aryl-3-butenamides. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.09.006
• 作为产物：
  描述：

  S-cyanomethyl O-ethyl carbonodithioate 、 N-(4'-methoxyphenyl)-3-butenamide 在 过氧化双月桂酰 作用下， 以 1,2-二氯乙烷 为溶剂， 以92%的产率得到Dithiocarbonic acid S-{3-cyano-1-[(4-methoxy-phenylcarbamoyl)-methyl]-propyl} ester O-ethyl ester
  参考文献：
  名称：

  Access to 4-substituted 3,4-dihydroquinolin-2(1H)-ones by an unusual radical cyclisation of a secondary amide

  摘要：

  A novel route to 3,4-dihydroquinolin-2(1H)-ones involving two radical addition steps is reported, starting from readily accessible xanthates and N-aryl-3-butenamides. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.09.006

文献信息

• Access to 4-substituted 3,4-dihydroquinolin-2(1H)-ones by an unusual radical cyclisation of a secondary amide
  作者：Grégori Binot、Samir Z. Zard

  DOI：10.1016/j.tetlet.2005.09.006

  日期：2005.10

  A novel route to 3,4-dihydroquinolin-2(1H)-ones involving two radical addition steps is reported, starting from readily accessible xanthates and N-aryl-3-butenamides. (c) 2005 Elsevier Ltd. All rights reserved.