(2-((6-chloropyridin-3-yl)methoxy)-5-methylphenyl)(p-tolyl)methanone | 1204314-14-6

• 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-((6-chloropyridin-3-yl)methoxy)-5-methylphenyl)(p-tolyl)methanone
• 英文别名: [2-[(6-Chloropyridin-3-yl)methoxy]-5-methylphenyl]-(4-methylphenyl)methanone；[2-[(6-chloropyridin-3-yl)methoxy]-5-methylphenyl]-(4-methylphenyl)methanone
• CAS: 1204314-14-6
• 化学式: C₂₁H₁₈ClNO₂
• 分子量: 351.832
• InChiKey: HQKJWLOZSDJMQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氯-5-氯甲基吡啶 、 (2-hydroxy-5-methylphenyl)(p-tolyl)methanone 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以88%的产率得到(2-((6-chloropyridin-3-yl)methoxy)-5-methylphenyl)(p-tolyl)methanone
  参考文献：
  名称：

  Crystal and Molecular Structure Analysis of (2-((6-Chloro pyridin-3-yl)methoxy)-5-methylphenyl)(p-tolyl)Methanone

  摘要：

  The title compound, (2-((6-chloropyridin-3-yl)methoxy)-5-methylphenyl)(p-tolyl) methanone, was synthesized and characterized spectroscopically and finally confirmed by (XRD) study. The title compound crystallizes in the monoclinic space group P21/c with cell parameters a=9.4420(1)angstrom, b=7.9810(6)angstrom, c=23.777(4)angstrom, =90 degrees, =90.883(3)degrees, =90 degrees, V=1791.5(4)angstrom-3, and Z=4. The structure exhibits intermolecular hydrogen bond of the type C-H center dot center dot center dot O.

  DOI：

  10.1080/15421400903359116

文献信息

• Crystal and Molecular Structure Analysis of (2-((6-Chloro pyridin-3-yl)methoxy)-5-methylphenyl)(p-tolyl)Methanone
  作者：B. N. Lakshminarayana、J. Shashidhara Prasad、T. D. Venu、B. K. Manuprasad、M. A. Sridhar、Sheena Shashikanth

  DOI：10.1080/15421400903359116

  日期：2009.12.7

  The title compound, (2-((6-chloropyridin-3-yl)methoxy)-5-methylphenyl)(p-tolyl) methanone, was synthesized and characterized spectroscopically and finally confirmed by (XRD) study. The title compound crystallizes in the monoclinic space group P21/c with cell parameters a=9.4420(1)angstrom, b=7.9810(6)angstrom, c=23.777(4)angstrom, =90 degrees, =90.883(3)degrees, =90 degrees, V=1791.5(4)angstrom-3, and Z=4. The structure exhibits intermolecular hydrogen bond of the type C-H center dot center dot center dot O.