9,9-dimethyl-12-(4-fluorophenyl)-8,9,10,12-tetrahydrobenzo[a]xanthene-11-thione | 1416451-12-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 9,9-dimethyl-12-(4-fluorophenyl)-8,9,10,12-tetrahydrobenzo[a]xanthene-11-thione
• 英文别名: 12-(4-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthene-11-thione
• CAS: 1416451-12-1
• 化学式: C₂₅H₂₁FOS
• 分子量: 388.506
• InChiKey: SHJHECNLEZCPGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  28
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  41.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  12-(4-fluorophenyl)-9,9-dimethyl-9,10-dihydro-8H-benzo[a]xanthene-11(12H)-one 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 0.75h， 以88%的产率得到9,9-dimethyl-12-(4-fluorophenyl)-8,9,10,12-tetrahydrobenzo[a]xanthene-11-thione
  参考文献：
  名称：

  Synthesis of novel 12-aryl-8,9,10,12-tetrahydrobenzo[a]xanthene-11-thiones and evaluation of their biocidal effects

  摘要：

  Novel 12-aryl-8,9,10,12-tetrahydrobenzolakanthene-11-thiones have been synthesized in high yields by treatment of the corresponding oxo analogs with Lawesson's reagent. The structure has been confirmed by X-ray analysis. The compounds were tested for in vitro antifungal activity against Rhizoctonia bataticola, Sclerotium rolfsii, Fusarium oxysporum and Alternaria porii. The compounds exhibited moderate to good activity against all pathogens. Insecticidal activity of these compounds against Spodoptera litura was observed to be comparable to commercial pyrethroid insecticide, cypermethrin. The urease inhibitory activity has also been studied. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.10.025

文献信息

• Synthesis of novel 12-aryl-8,9,10,12-tetrahydrobenzo[a]xanthene-11-thiones and evaluation of their biocidal effects
  作者：Jitender M. Khurana、Devanshi Magoo、Komal Aggarwal、Nisha Aggarwal、Rajesh Kumar、Chitra Srivastava

  DOI：10.1016/j.ejmech.2012.10.025

  日期：2012.12

  Novel 12-aryl-8,9,10,12-tetrahydrobenzolakanthene-11-thiones have been synthesized in high yields by treatment of the corresponding oxo analogs with Lawesson's reagent. The structure has been confirmed by X-ray analysis. The compounds were tested for in vitro antifungal activity against Rhizoctonia bataticola, Sclerotium rolfsii, Fusarium oxysporum and Alternaria porii. The compounds exhibited moderate to good activity against all pathogens. Insecticidal activity of these compounds against Spodoptera litura was observed to be comparable to commercial pyrethroid insecticide, cypermethrin. The urease inhibitory activity has also been studied. (C) 2012 Elsevier Masson SAS. All rights reserved.
• Synthesis, Spectroscopic Analysis, and In-Vitro Antimicrobial Evaluation of some Tetrahydrobenzo[a]Xanthene-11-Thiones
  作者：Annamalai Sethukumar、Chandran Udhaya Kumar、Balasubramaniyam Arul Prakasam

  DOI：10.1080/10426507.2012.757611

  日期：2013.11.1

  A series of 12-aryl-8,9,10,12-tetrahydrobenzo[a]xanthene-11-thiones were synthesized by the reaction of substituted 12-aryl-8,9,10,12-tetrahydrobenzo[a]xanthene-11-ones with Lawesson's Reagent in toluene under standard reaction conditions. All synthesized compounds were characterized by IR, NMR (H-1 and C-13), and mass spectra. Moreover, 2D-NMR (HOMOCOSY, HSQC, and HMBC) studies were also performed for compound 10b. The synthesized compounds were also screened for their antibacterial activities. [Supplementary materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfer, and Silicon and the Related Elements for the following free supplemental files: Additional figures.]