8-(phenylsulfinyl)-1-naphthoic acid | 131073-66-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 8-(phenylsulfinyl)-1-naphthoic acid
• 英文别名: (+/-)-8-benzenesulfinyl-[1]naphthoic acid；(+/-)-8-Benzolsulfinyl-[1]naphthoesaeure；8-(benzenesulfinyl)naphthalene-1-carboxylic acid
• CAS: 131073-66-0
• 化学式: C₁₇H₁₂O₃S
• 分子量: 296.346
• InChiKey: UTPSEYFLGGYQEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  73.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-Naphthalenecarboxylic acid, 8-(phenylthio)- 以96%的产率得到
  参考文献：
  名称：

  RABAI, JOZSEF;KAPOVITS, ISTVAN;TANACS, BELA;TAMAS, JOZSEF, SYNTHESIS (BRD),(1990) N, C. 847-849

  摘要：

  DOI：

文献信息

• Comparison of resolution methods for racemic 8-(phenylsulfinyl)-1-naphthoic acid
  作者：Anikó Nemes、Dénes Szabó、József Rábai

  DOI：10.1016/j.tetasy.2017.07.001

  日期：2017.8

  Despite of the fact that resolution is an extremely important process in the pharmaceutical and agrochemical industries, the development of the separation of enantiomers is still based on trial-and-error experiments. In order to compare the different procedures, the resolution of 8-(phenylsulfinyl)-1-naphthoic acid 1 was carried out by chiral organic bases using heat facilitated diastereomeric crystallization, enantioselective liquid-liquid extraction and chiroselective transport. The results give valuable information about the interactions in the racemate/resolving agent/solvent system, which helps with the understanding and development of resolution processes. Diastereomeric crystallization with brucine as a resolving agent afforded enantiomerically pure (-)-1. (C) 2017 Elsevier Ltd. All rights reserved.
• RABAI, JOZSEF;KAPOVITS, ISTVAN;TANACS, BELA;TAMAS, JOZSEF, SYNTHESIS (BRD),(1990) N, C. 847-849
  作者：RABAI, JOZSEF、KAPOVITS, ISTVAN、TANACS, BELA、TAMAS, JOZSEF

  DOI：——

  日期：——