(5-氯磺酰基萘-1-基)乙酸酯 | 56875-57-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: (5-氯磺酰基萘-1-基)乙酸酯
• 英文名称: 5-acetoxynaphthalene-1-sulfonyl chloride
• 英文别名: 5-acetoxy-naphthalene-1-sulfonyl chloride；1-Acetoxy-naphthalin-sulfonsaeure-(5)-chlorid；5-Acetoxy-naphthalin-1-sulfonylchlorid；1-Acetoxy-naphthalin-5-sulfonsaeurechlorid；5-(Chlorosulfonyl)naphthalen-1-yl acetate；(5-chlorosulfonylnaphthalen-1-yl) acetate
• CAS: 56875-57-1
• 化学式: C₁₂H₉ClO₄S
• 分子量: 284.72
• InChiKey: BJMDLVDTSFZWNB-UHFFFAOYSA-N

物化性质

• 熔点：
  129 °C
• 沸点：
  416.2±20.0 °C(Predicted)
• 密度：
  1.439±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (5-氯磺酰基萘-1-基)乙酸酯 在 氢溴酸 、 碳酸氢钠 、 sodium thiosulfate 、 溶剂黄146 作用下， 反应 5.0h， 生成 5-(methanesulfonyl)-1-naphthol
  参考文献：
  名称：

  Photoexcited Proton Transfer from Enhanced Photoacids

  摘要：

  Naphthols with electron-withdrawing groups such as cyano or methanesulfonyl at C-5 and C-8 exhibit greatly enhanced photoacidity. This increase in photoacidity enables the substituted naphthols to undergo excited-state proton transfer (ESPT) in alcohols and Me(2)SO in the absence of water. In aqueous tetrahydrofuran solution, efficient proton transfer to water occurs at much lower water concentrations than with the parent naphthol, and the kinetics of proton transfer indicate that a smaller water cluster is involved.

  DOI：

  10.1021/ja00102a028
• 作为产物：
  描述：

  5-acetoxynaphthalene-1-sulfonate sodium salt 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 反应 2.0h， 生成 (5-氯磺酰基萘-1-基)乙酸酯
  参考文献：
  名称：

  Photoexcited Proton Transfer from Enhanced Photoacids

  摘要：

  Naphthols with electron-withdrawing groups such as cyano or methanesulfonyl at C-5 and C-8 exhibit greatly enhanced photoacidity. This increase in photoacidity enables the substituted naphthols to undergo excited-state proton transfer (ESPT) in alcohols and Me(2)SO in the absence of water. In aqueous tetrahydrofuran solution, efficient proton transfer to water occurs at much lower water concentrations than with the parent naphthol, and the kinetics of proton transfer indicate that a smaller water cluster is involved.

  DOI：

  10.1021/ja00102a028

文献信息

• Methods and Compounds for Detection of Medical Disorders
  申请人：Ziv Ilan

  公开号：US20070232702A1

  公开（公告）日：2007-10-04

  The invention provides methods for detection of medical disorders, associated with cellular oxidative stress, cell degeneration and/or cell death. The invention further relates to compounds comprising a thiol (—SH) group, for detecting cells undergoing oxidative stress, degeneration and/or a death process. The invention further provides methods for utilizing the compounds in medical practice, for diagnostic and therapeutic purposes.

  这项发明提供了检测与细胞氧化应激、细胞退化和/或细胞死亡相关的医学疾病的方法。该发明还涉及包含硫醇（—SH）基团的化合物，用于检测正在经历氧化应激、退化和/或死亡过程的细胞。该发明还提供了利用这些化合物进行医学实践的方法，用于诊断和治疗目的。
• Heller, Journal fur praktische Chemie (Leipzig 1954), 1929, vol. <2> 121, p. 201
  作者：Heller

  DOI：——

  日期：——
• Heller, Journal fur praktische Chemie (Leipzig 1954), vol. 121, p. 197
  作者：Heller

  DOI：——

  日期：——
• US8101666B2
  申请人：——

  公开号：US8101666B2

  公开（公告）日：2012-01-24