4-bromo-1-isobutoxynaphthalene | 1379588-76-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-bromo-1-isobutoxynaphthalene
• 英文别名: 1-Bromo-4-isobutoxynaphthalene；1-bromo-4-(2-methylpropoxy)naphthalene
• CAS: 1379588-76-7
• 化学式: C₁₄H₁₅BrO
• 分子量: 279.176
• InChiKey: JJVYJUPALNSLMU-UHFFFAOYSA-N

物化性质

• 沸点：
  359.1±15.0 °C(Predicted)
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-bromo-1-isobutoxynaphthalene 在 碘 、 magnesium 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醚 、 甲苯 为溶剂， 反应 5.0h， 生成 benzo[d]thiazol-2-yl 4-isobutoxynaphthalene-1-carbodithioate
  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
• 作为产物：
  描述：

  萘酚 在 N-溴代丁二酰亚胺(NBS) 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 4-bromo-1-isobutoxynaphthalene
  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).