5-[(4-Methoxynaphthalene-1-carbothioyl)amino]pentanoic acid | 1379588-94-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-[(4-Methoxynaphthalene-1-carbothioyl)amino]pentanoic acid
• CAS: 1379588-94-9
• 化学式: C₁₇H₁₉NO₃S
• 分子量: 317.409
• InChiKey: KRBNDZRDFUAHID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  90.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3-Benzothiazol-2-yl 4-methoxynaphthalene-1-carbodithioate 在 4-二甲氨基吡啶 、 水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 5-[(4-Methoxynaphthalene-1-carbothioyl)amino]pentanoic acid
  参考文献：
  名称：

  Facile Synthesis of Lipophilic δ-Amino Acid Conjugates from 4-Alkoxy-dithionaphthoic Acids

  摘要：

  Novel 4-alkoxy-dithionaphthoic acids were prepared and shown to be valuable synthons for delta-amino acid conjugates. These dithioacids are efficiently synthesized and purified, stable to storage, and easily derivatized to facilitate thioacylation chemistry. To this end, we have demonstrated dithionaphthoic acids (6) to successfully undergo coupling with both protected and unprotected amino acids, giving rise to stable thioamide conjugates (8 and 9).

  DOI：

  10.1080/00397911.2011.565142

文献信息

• Facile Synthesis of Lipophilic δ-Amino Acid Conjugates from 4-Alkoxy-dithionaphthoic Acids
  作者：Anna C. Worth、Catherine E. Needham、Donald B. Franklin、Andrew J. Lampkins

  DOI：10.1080/00397911.2011.565142

  日期：2012.9.15

  Novel 4-alkoxy-dithionaphthoic acids were prepared and shown to be valuable synthons for delta-amino acid conjugates. These dithioacids are efficiently synthesized and purified, stable to storage, and easily derivatized to facilitate thioacylation chemistry. To this end, we have demonstrated dithionaphthoic acids (6) to successfully undergo coupling with both protected and unprotected amino acids, giving rise to stable thioamide conjugates (8 and 9).