(1-(3,5-dimethyl-2,3-dihydro-isoxazole-4-sulfonyl)-piperidin-4-yl)-diphenyl-methanol | 1164112-38-2

• 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: (1-(3,5-dimethyl-2,3-dihydro-isoxazole-4-sulfonyl)-piperidin-4-yl)-diphenyl-methanol
• 英文别名: [1-(3,5-dimethylisoxazole-4-sulfonyl)piperidin-4-yl]diphenylmethanol；[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-diphenylmethanol；[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-diphenylmethanol
• CAS: 1164112-38-2
• 化学式: C₂₃H₂₆N₂O₄S
• 分子量: 426.536
• InChiKey: LBYULFCHJYLECV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  92
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (1-甲基哌啶-4-基)-二苯基甲醇 在 potassium carbonate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 氯仿 为溶剂， 反应 24.17h， 生成 (1-(3,5-dimethyl-2,3-dihydro-isoxazole-4-sulfonyl)-piperidin-4-yl)-diphenyl-methanol
  参考文献：
  名称：

  Synthesis and in vitro antiproliferative activity of diphenyl(sulphonylpiperidin-4-yl)methanol derivatives

  摘要：

  A series of novel diphenyl(piperidin-4-yl)methanol derivatives 10(a-n) were synthesized and characterized by H-1 NMR, LC/MS, FTIR, and elemental analyses. All the synthesized compounds were evaluated for cell proliferation by MTT assay. The antiproliferative effects of the synthesized compounds were tested against viable human skin fibroblast cell line and carcinoma cell lines, namely HeLa cells, HT-29 cells, MCF-7 cells, and HepG-2 cells in comparing the positive and negative control. Among the synthesized compounds, (10b) and (10g) have been identified as potent antiproliferative agents.

  DOI：

  10.1007/s00044-009-9186-8

文献信息

• Synthesis, Characterization, Crystal, and Molecular Structure Studies of [1-(3,5-Dimethyl-2,3-dihydro-isoxazole-4-sulfonyl)-piperidin-4-yl}-diphenyl-methanol
  作者：S. Naveen、S. B. Benaka Prasad、H. R. Manjunath、C. S. Ananda Kumar、K. S. Rangappa、N. K. Lokanath、M. A. Sridhar

  DOI：10.1080/07315171.2014.964791

  日期：2015.7.24

  The title compound [1-(3,5-Dimethyl-2,3-dihydro-isoxazole-4-sulfonyl)-piperidin-4-yl)-diphenyl-methanol was synthesized and the product obtained was characterized by spectroscopic techniques and finally the structure was confirmed by X-ray diffraction studies. The compound crystallizes in the monoclinic crystal system with the space group P2(1)/c and with unit cell parameters a = 8.5280(6) angstrom, b = 25.223(4) angstrom, c = 10.7060(17) angstrom, beta = 99.879(8)degrees, and Z = 4. The structure reveals that the piperidine ring is in chair conformation. The geometry around the S atom is distorted tetrahedral. The structure exhibits both inter-and intramolecular hydrogen bonds of the type O-H center dot center dot center dot N and C-H center dot center dot center dot O.