1-萘-1-基-3-(4-硝基苯基)硫脲 | 111782-25-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-萘-1-基-3-(4-硝基苯基)硫脲
• 英文名称: 1-(1-naphthalen-1-yl)-3-(4-nitrophenyl)thiourea
• 英文别名: N-[1]naphthyl-N'-(4-nitro-phenyl)-thiourea；N-[1]Naphthyl-N'-(4-nitro-phenyl)-thioharnstoff；N-Naphthalen-1-yl-N'-(4-nitrophenyl)thiourea；1-naphthalen-1-yl-3-(4-nitrophenyl)thiourea
• CAS: 111782-25-3
• 化学式: C₁₇H₁₃N₃O₂S
• 分子量: 323.375
• InChiKey: GJDRSYLDJPWOMT-UHFFFAOYSA-N

物化性质

• 沸点：
  514.0±52.0 °C(Predicted)
• 密度：
  1.445±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-萘胺盐酸盐 、 异硫代氰基4-硝基苯酯 以 乙醇 为溶剂， 生成 1-萘-1-基-3-(4-硝基苯基)硫脲
  参考文献：
  名称：

  A ditopic colorimetric sensor for fluoride ion based on thiourea mercury complex

  摘要：

  A novel ditopic chromogenic receptor. N-5-(8-hydroxy)quinoline-N'-4'-nitro-phenyl thiourea (1). was synthesized. The metal complex 1-Hg2+ showed sensitive and highly selective responses to F- over other anions such as CH3CO2-, H2PO4-, HSO4- and Cl-, 1-Hg2+-F- complex formed, which promoted the intramolecular charge transfer and led to a dramatic spectral change. The color of 1-Hg2+ solution changed from colorless to red upon addition of F-. Thus, a colorimetric assay of F- was developed in acetonitrile by naked-eye detection. F- behaved linearly in the 8.0 x 10(-6) to 2.0 x 10(-5) mot L-1 concentration range with LOD as 1.4 x 10(-6) mol L-1. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2008.02.024

文献信息

• 46. Studies in the colour reactions of organic compounds. Part I. The colour reactions of arylthioureas
  作者：George Malcolm Dyson

  DOI：10.1039/jr9340000174

  日期：——
• Synthesis and evaluation of the diarylthiourea analogs as novel anti-cancer agents
  作者：Shengquan Liu、Maggie C. Louie、Vanishree Rajagopalan、Guangyan Zhou、Esmeralda Ponce、Tran Nguyen、Linda Green

  DOI：10.1016/j.bmcl.2015.01.042

  日期：2015.3

  Ten p-nitrodiarylthiourea analogs were designed, synthesized and evaluated in breast (MCF-7, T-47D, MDA-MB-453) and prostate (DU-145, PC-3, LNCaP) cancer cell lines for their anticancer activities. The majority of the compounds were able to inhibit the growth of these six cancer cell lines at low micromolar concentrations. Compound 7 was found to be the most potent anticancer agent in this series with GI(50) values of 3.16 mu M for MCF-7, 2.53 mu M for T-47D, 4.77 mu M for MDA-MB-453 breast cancer lines and 3.54 mu M for LNCaP prostate cancer cell line. These GI(50) values were comparable to the parent compound, SHetA2. (C) 2015 Elsevier Ltd. All rights reserved.
• A ditopic colorimetric sensor for fluoride ion based on thiourea mercury complex
  作者：Mei-Zhen Sun、Fang-Ying Wu、Yu-Mei Wu、Wen-Ming Liu

  DOI：10.1016/j.saa.2008.02.024

  日期：2008.12

  A novel ditopic chromogenic receptor. N-5-(8-hydroxy)quinoline-N'-4'-nitro-phenyl thiourea (1). was synthesized. The metal complex 1-Hg2+ showed sensitive and highly selective responses to F- over other anions such as CH3CO2-, H2PO4-, HSO4- and Cl-, 1-Hg2+-F- complex formed, which promoted the intramolecular charge transfer and led to a dramatic spectral change. The color of 1-Hg2+ solution changed from colorless to red upon addition of F-. Thus, a colorimetric assay of F- was developed in acetonitrile by naked-eye detection. F- behaved linearly in the 8.0 x 10(-6) to 2.0 x 10(-5) mot L-1 concentration range with LOD as 1.4 x 10(-6) mol L-1. (C) 2008 Elsevier B.V. All rights reserved.