2-[(4-Fluorobenzyl)amino]-1-phenylethanol | 203389-81-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[(4-Fluorobenzyl)amino]-1-phenylethanol
• 英文别名: 2-[(4-fluorophenyl)methylamino]-1-phenylethanol
• CAS: 203389-81-5
• 化学式: C₁₅H₁₆FNO
• mdl: MFCD02679625
• 分子量: 245.297
• InChiKey: VQTWFXWQAKZVNN-UHFFFAOYSA-N

物化性质

• 沸点：
  380.0±21.0 °C(Predicted)
• 密度：
  1.163±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[(4-Fluorobenzyl)amino]-1-phenylethanol 在 三乙胺 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.75h， 生成 2-(tert-butoxycarbonyl(4-fluorobenzyl)amino)-1-phenylethyl 2,3-dichlorobenzenesulfonate
  参考文献：
  名称：

  Synthesis and 2D QSAR of O-sulphonated β-aminols derivatives as novel antifungal and antibacterial agents

  摘要：

  Synthesis of a series of beta-aminol derivatives using regioselective opening reaction catalyzed by SiO2 (60-120 mesh) and O-sulphonation in THF-KOH system, comprising tert-butoxycarbonyl at secondary nitrogen and evaluate for various stains of bacteria and fungi. SAR study of synthesized compound using backward regression analysis. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.078
• 作为产物：
  描述：

  对氟苯甲醛 、 alpha-氯乙酰苯 生成 2-[(4-Fluorobenzyl)amino]-1-phenylethanol
  参考文献：
  名称：

  不对称仲胺的固相合成－在芳基乙醇胺和芳基丙醇胺的合成中的应用

  摘要：

  开发了一种新颖且简单的不对称仲胺固相合成方法。通用方法应用于芳基乙醇胺和芳基丙醇胺的合成。

  DOI：

  10.1016/s0040-4039(97)10680-3

文献信息

• Design and synthesis of substituted 4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamides, novel HIV-1 integrase inhibitors
  作者：H. Marie Langford、Peter D. Williams、Carl F. Homnick、Joseph P. Vacca、Peter J. Felock、Kara A. Stillmock、Marc V. Witmer、Daria J. Hazuda、Lori J. Gabryelski、William A. Schleif

  DOI：10.1016/j.bmcl.2007.11.049

  日期：2008.1

  A series of 4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamides was synthesized and tested for their inhibition of HIV-1 integrase catalytic activity and HIV-1 replication in cells. Structure-activity studies around lead compound 5 indicated that a coplanar relationship of metal-binding heteroatoms provides optimal binding to the integrase active site. Identification of potency-enhancing substituents and adjustments in lipophilicity provided 17b which inhibits integrase-catalyzed strand transfer with an IC50 value of 74 nM and inhibits HIV-1 replication in cell culture in the presence of 50% normal human serum with an IC95 value of 63 nM. (c) 2007 Elsevier Ltd. All rights reserved.
• Synthesis and 2D QSAR of O-sulphonated β-aminols derivatives as novel antifungal and antibacterial agents
  作者：Sugandha Sharma、Atindra K. Pandey、Praveen K. Shukla、Anil K. Saxena

  DOI：10.1016/j.bmcl.2011.08.078

  日期：2011.11

  Synthesis of a series of beta-aminol derivatives using regioselective opening reaction catalyzed by SiO2 (60-120 mesh) and O-sulphonation in THF-KOH system, comprising tert-butoxycarbonyl at secondary nitrogen and evaluate for various stains of bacteria and fungi. SAR study of synthesized compound using backward regression analysis. (C) 2011 Elsevier Ltd. All rights reserved.
• Solid phase synthesis of unsymmetrical secondary amines—Application to the synthesis of arylethanolamines and arylpropanolamines
  作者：Ashok V Purandare、Michael A. Poss

  DOI：10.1016/s0040-4039(97)10680-3

  日期：1998.2

  A novel and simple solid phase synthesis of unsymmetrical secondary amines was developed. The general methodology was applied to the synthesis of arylethanolamines and arylpropanolamines.

  开发了一种新颖且简单的不对称仲胺固相合成方法。通用方法应用于芳基乙醇胺和芳基丙醇胺的合成。