2-(Benzyl-pyridin-2-yl-phosphinoyl)-propan-2-ol | 917752-97-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(Benzyl-pyridin-2-yl-phosphinoyl)-propan-2-ol
• 英文别名: 2-[Benzyl(pyridin-2-yl)phosphoryl]propan-2-ol；2-[benzyl(pyridin-2-yl)phosphoryl]propan-2-ol
• CAS: 917752-97-7
• 化学式: C₁₅H₁₈NO₂P
• 分子量: 275.287
• InChiKey: GCBQMCUBNKIVKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  benzyl-tris(2-pyridyl)phosphonium chloride 、 丙酮 在 水 作用下， 以 正己烷 为溶剂， 以29%的产率得到2-(Benzyl-pyridin-2-yl-phosphinoyl)-propan-2-ol
  参考文献：
  名称：

  Synthesis and Characterization of Alkyltris(2-pyridyl)phosphonium Salts

  摘要：

  Alkytris( 2-pyridyl)phosphonium salts [(2-Py)(3)PR]X 1 [1a, R = Et, X = Br; 1b, R = Pr, X= Br; 1c, R = Bu, X = Br; 1d, R = CH2Ph, X = Br; 1e, R = CH2Ph, X = Cl] were synthesised from (2-Py)(3)P and an excess of RCl. 1c and 1e were found to rapidly decompose in hot acetone to 2,2-bipyridinium(+1) bromide 2 and (2-Py) P(O)(CH2Ph) C(OH) Me-2 3, respectively. A reaction mechanism for both products is proposed. All compounds were fully characterized, including X-ray crystallography for 1a and 3 with 1a being the first representative of this class of compounds characterized by this technique.

  DOI：

  10.1080/10426500500328871

文献信息

• Synthesis and Characterization of Alkyltris(2-pyridyl)phosphonium Salts
  作者：Richard J. Bowen、Manuel A. Fernandes、Patricia W. Gitari、Marcus Layh

  DOI：10.1080/10426500500328871

  日期：2006.7.1

  Alkytris( 2-pyridyl)phosphonium salts [(2-Py)(3)PR]X 1 [1a, R = Et, X = Br; 1b, R = Pr, X= Br; 1c, R = Bu, X = Br; 1d, R = CH2Ph, X = Br; 1e, R = CH2Ph, X = Cl] were synthesised from (2-Py)(3)P and an excess of RCl. 1c and 1e were found to rapidly decompose in hot acetone to 2,2-bipyridinium(+1) bromide 2 and (2-Py) P(O)(CH2Ph) C(OH) Me-2 3, respectively. A reaction mechanism for both products is proposed. All compounds were fully characterized, including X-ray crystallography for 1a and 3 with 1a being the first representative of this class of compounds characterized by this technique.