2-(3-(benzoxazol-2-ylthio)propyl)-1H-isoindole-1,3(2H)-dione | 143979-57-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(3-(benzoxazol-2-ylthio)propyl)-1H-isoindole-1,3(2H)-dione
• 英文别名: 2-[3-(1,3-Benzoxazol-2-ylsulfanyl)propyl]isoindole-1,3-dione
• CAS: 143979-57-1
• 化学式: C₁₈H₁₄N₂O₃S
• 分子量: 338.387
• InChiKey: IRGFWIKXPSFKJO-UHFFFAOYSA-N

物化性质

• 沸点：
  518.1±52.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  88.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(3-(benzoxazol-2-ylthio)propyl)-1H-isoindole-1,3(2H)-dione 在 肼 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 生成 3-(2-Benzooxazolylthio)propylamine
  参考文献：
  名称：

  Synthesis and antibacterial activity of novel ketolides with 11,12-sulfur contained aryl alkyl side chains

  摘要：

  A novel series of ketolides with 11,12-sulfur contained aryl alkyl side chains were synthesized and evaluated for their antibacterial activity. These ketolides exhibited potent activity against key macrolide sensitive and resistant respiratory pathogens. The newly synthesized 9a, 9e, 9k and 9n showed a similar antimicrobial spectrum and comparable activity to telithromycin, the commercial ketolide antibacterial. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.11.004
• 作为产物：
  描述：

  N-(3-溴丙基)苯二胺 、 2-巯基苯并恶唑 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以82%的产率得到2-(3-(benzoxazol-2-ylthio)propyl)-1H-isoindole-1,3(2H)-dione
  参考文献：
  名称：

  Synthesis and antibacterial activity of novel ketolides with 11,12-sulfur contained aryl alkyl side chains

  摘要：

  A novel series of ketolides with 11,12-sulfur contained aryl alkyl side chains were synthesized and evaluated for their antibacterial activity. These ketolides exhibited potent activity against key macrolide sensitive and resistant respiratory pathogens. The newly synthesized 9a, 9e, 9k and 9n showed a similar antimicrobial spectrum and comparable activity to telithromycin, the commercial ketolide antibacterial. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.11.004

文献信息

• Naphthoic acid derivative
  申请人：Fujirebio Inc.

  公开号：US05324728A1

  公开（公告）日：1994-06-28

  A naphthoic acid derivative represented by the following general formula or a salt thereof: ##STR1## wherein R.sub.1, R.sub.2 and R.sub.3 are each independently a hydrogen atom, a halogen atom, a hydroxyl group, a lower alkyl group, a lower alkoxy group, a lower alkanoyloxy group, a hydroxy-lower alkyl group, a lower alkoxy-lower alkyl group, a lower alkanoyloxy-lower alkyl group or an aralkyloxy group; R.sub.4 is a hydrogen atom or a lower alkyl group; R.sub.5 is a substituted or unsubstituted aryl group or a substituted or unsubstituted heteroaromatic group; X is a group ##STR2## a cycloalkylene group, a bivalent nitrogen-containing heterocyclic group, or a group ##STR3## --R.sub.8 --NH-- or --NH--R.sub.8, where R.sub.6 and R.sub.7 are each a hydrogen atom or a lower alkyl group and R.sub.8 is a cycloalkylene group, or R.sub.6 and R.sub.7, together with R.sub.4, may form an alkylene group of 1-3 carbon atoms; Y is --S(O).sub.p --, --(CH.sub.2).sub.n -- or --O--; Z is a substituted or unsubstituted alkylene group or a single bond; l is an integer of 0-4; m is an integer of 0-8; n is 0 or 1; p is an integer of 0-2; and g is 0 or 1. The compound is useful as an antiallergic agent.

  一种萘甲酸衍生物或其盐，其通式如下：##STR1##其中，R.sub.1、R.sub.2和R.sub.3各自独立地为氢原子、卤素原子、羟基、低碳基、低烷氧基、低酰氧基、羟基-低碳基、低烷氧-低碳基、低酰氧-低碳基或芳基烷氧基；R.sub.4为氢原子或低碳基；R.sub.5为取代或未取代的芳基或取代或未取代的杂环芳基；X为基团##STR2##环烷基、含氮杂环的双价杂环基团或基团##STR3##--R.sub.8 --NH--或--NH--R.sub.8，其中R.sub.6和R.sub.7各自为氢原子或低碳基，R.sub.8为环烷基，或R.sub.6和R.sub.7与R.sub.4一起可以形成1-3碳原子的烷基；Y为--S(O).sub.p --、--(CH.sub.2).sub.n --或--O--；Z为取代或未取代的烷基或单键；l为0-4的整数；m为0-8的整数；n为0或1；p为0-2的整数；g为0或1。该化合物可用作抗过敏药物。
• US5324728A
  申请人：——

  公开号：US5324728A

  公开（公告）日：1994-06-28
• Synthesis and antibacterial activity of novel ketolides with 11,12-sulfur contained aryl alkyl side chains
  作者：Xiao-zhuo Chen、Peng Xu、Lu Liu、Dan Zheng、Ping-sheng Lei

  DOI：10.1016/j.ejmech.2010.11.004

  日期：2011.1

  A novel series of ketolides with 11,12-sulfur contained aryl alkyl side chains were synthesized and evaluated for their antibacterial activity. These ketolides exhibited potent activity against key macrolide sensitive and resistant respiratory pathogens. The newly synthesized 9a, 9e, 9k and 9n showed a similar antimicrobial spectrum and comparable activity to telithromycin, the commercial ketolide antibacterial. (C) 2010 Elsevier Masson SAS. All rights reserved.