3α,7α-bis[[3-(1-imidazolyl)propyl]amino]-5α-cholestane | 1206481-83-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 3α,7α-bis[[3-(1-imidazolyl)propyl]amino]-5α-cholestane
• 英文别名: (3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-N,7-N-bis(3-imidazol-1-ylpropyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diamine
• CAS: 1206481-83-5
• 化学式: C₃₉H₆₆N₆
• 分子量: 618.993
• InChiKey: MKSAPWYHFHVWFV-OPZCBVFNSA-N

物化性质

• 熔点：
  164-166 °C
• 沸点：
  754.1±55.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  45
• 可旋转键数：
  15
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  59.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(溴甲基)芘 、 3α,7α-bis[[3-(1-imidazolyl)propyl]amino]-5α-cholestane 以 乙腈 为溶剂， 反应 1.0h， 以80%的产率得到
  参考文献：
  名称：

  Pyrenyl-appended imidazolium receptor for selective fluorescence sensing of oxalic acid

  摘要：

  A new fluorescent imidazolium-based cholestane receptor 4 bearing a pyrene moiety was synthesized. The binding ability of 4 toward various dicarboxylic acids was examined by UV-vis and fluorescence spectroscopy. Receptor 4 showed the highest binding constant for oxalic acid among all the tested dicarboxylic acids (K-a = 5.06 x 10(4) M-1). Oxalic acid formed a complex with 4 with a 1:2 ratio in ethanol. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.014

文献信息

• Fluorescence sensing of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.gif" overflow="scroll"><mml:mrow><mml:msub><mml:mrow><mml:mtext>H</mml:mtext></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub><mml:mmultiscripts><mml:mrow><mml:mtext>PO</mml:mtext></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow><mml:none /><mml:none /><mml:mrow><mml:mo>-</mml:mo></mml:mrow></mml:mmultiscripts></mml:mrow></mml:math> by a imidazolium-based cholestane receptor
  作者：Jyoti Ramesh Jadhav、Chi Hwan Bae、Hong-Seok Kim

  DOI：10.1016/j.tetlet.2011.01.107

  日期：2011.4

  A new imidazolium functionalized cholestane-based receptor 3 has been synthesized and characterized. A binding study of receptor 3 with various anions was assessed by UV-vis and fluorescence spectroscopy in dry CH3CN and aqueous CH3CN solutions. Of all anions, 3 showed the highest binding constant with dihydrogen phosphate (K-a = 1.6 x 10(5) M-1) accompanying a colour change in a dry CH3CN solution. (C) 2011 Elsevier Ltd. All rights reserved.