2-sulfanylidene-6-undecyl-1H-pyrimidin-4-one | 157615-67-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-sulfanylidene-6-undecyl-1H-pyrimidin-4-one
• CAS: 157615-67-3
• 化学式: C₁₅H₂₆N₂OS
• 分子量: 282.45
• InChiKey: ISQJQNJBRIDQCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  73.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-sulfanylidene-6-undecyl-1H-pyrimidin-4-one 在 sodium hydroxide 、 氯乙酸 作用下， 以 水 、 丙酮 为溶剂， 反应 2.0h， 生成 5-oxohexadecanoic acid
  参考文献：
  名称：

  A solution to the component instability problem in the preparation of peptides containing C2-substituted cis-cyclobutane β-aminoacids: synthesis of a stable rhodopeptin analogue

  摘要：

  Despite the inherent instability of C2-substituted cis-cyclobutane beta-aminoacids, incorporation of such residues into peptides is shown to be possible through use of a 1-amino-2-(hydroxymethyl)cyclobutane derivative as a stable beta-aminoacid surrogate. This synthetic strategy was validated by the synthesis of a rhodopeptin analogue. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.06.027
• 作为产物：
  描述：

  3-氧代十四酸乙酯 、 硫脲 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 2-sulfanylidene-6-undecyl-1H-pyrimidin-4-one
  参考文献：
  名称：

  A solution to the component instability problem in the preparation of peptides containing C2-substituted cis-cyclobutane β-aminoacids: synthesis of a stable rhodopeptin analogue

  摘要：

  Despite the inherent instability of C2-substituted cis-cyclobutane beta-aminoacids, incorporation of such residues into peptides is shown to be possible through use of a 1-amino-2-(hydroxymethyl)cyclobutane derivative as a stable beta-aminoacid surrogate. This synthetic strategy was validated by the synthesis of a rhodopeptin analogue. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.06.027

文献信息

• US5480716A
  申请人：——

  公开号：US5480716A

  公开（公告）日：1996-01-02
• A solution to the component instability problem in the preparation of peptides containing C2-substituted cis-cyclobutane β-aminoacids: synthesis of a stable rhodopeptin analogue
  作者：Olivier Roy、Sophie Faure、David J. Aitken

  DOI：10.1016/j.tetlet.2006.06.027

  日期：2006.8

  Despite the inherent instability of C2-substituted cis-cyclobutane beta-aminoacids, incorporation of such residues into peptides is shown to be possible through use of a 1-amino-2-(hydroxymethyl)cyclobutane derivative as a stable beta-aminoacid surrogate. This synthetic strategy was validated by the synthesis of a rhodopeptin analogue. (c) 2006 Elsevier Ltd. All rights reserved.