S-(4-acetamido-5,5,5-trifluoro-1-((propan-2-ylideneamino)oxy)pentan-2-yl) O-ethyl carbonodithioate | 1101207-08-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: S-(4-acetamido-5,5,5-trifluoro-1-((propan-2-ylideneamino)oxy)pentan-2-yl) O-ethyl carbonodithioate
• CAS: 1101207-08-2
• 化学式: C₁₃H₂₁F₃N₂O₃S₂
• 分子量: 374.449
• InChiKey: VQALMOFNYIVEAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  23.0
• 可旋转键数：
  8.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  59.92
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  S-(4-acetamido-5,5,5-trifluoro-1-((propan-2-ylideneamino)oxy)pentan-2-yl) O-ethyl carbonodithioate 在 偶氮二异丁腈 、 次磷酸 、 三乙胺 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以85%的产率得到propan-2-one O-4-(acetylamino)-5,5,5-trifluoropentyloxime
  参考文献：
  名称：

  A versatile radical based approach to O-alkylated hydroxylamines and oximes

  摘要：

  O-Alkylhydroxylamines, often used for the preparation of bioconjugates, can be readily obtained by radical addition to suitable O-alkenylhydroxylamine derivatives. In the case of N-Boc-O-allylhydroxylamine, the addition is unexpectedly followed by elimination resulting in an overall allylation of the radical species. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.08.113
• 作为产物：
  描述：

  acetoxime O-allyl ether 、 dithiocarbonic acid S-(1-acetylamino-2,2,2-trifluoro-ethyl) ester O-ethyl ester 在 过氧化双月桂酰 作用下， 以 1,2-二氯乙烷 为溶剂， 以69%的产率得到S-(4-acetamido-5,5,5-trifluoro-1-((propan-2-ylideneamino)oxy)pentan-2-yl) O-ethyl carbonodithioate
  参考文献：
  名称：

  A versatile radical based approach to O-alkylated hydroxylamines and oximes

  摘要：

  O-Alkylhydroxylamines, often used for the preparation of bioconjugates, can be readily obtained by radical addition to suitable O-alkenylhydroxylamine derivatives. In the case of N-Boc-O-allylhydroxylamine, the addition is unexpectedly followed by elimination resulting in an overall allylation of the radical species. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.08.113