[1-(2-nitrobenzenesulfonyl)piperidin-4-yl](diphenyl)methanol | 1152785-34-6

• 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: [1-(2-nitrobenzenesulfonyl)piperidin-4-yl](diphenyl)methanol
• 英文别名: [1-(2-nitrobenzenesulfonyl)piperidin-4-yl]diphenylmethanol；[1-(2-Nitrophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol；[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
• CAS: 1152785-34-6
• 化学式: C₂₄H₂₄N₂O₅S
• 分子量: 452.531
• InChiKey: OMYHKWAUQZNWRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  112
• 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-(2-nitrobenzenesulfonyl)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 and Crystal Structure of 1-(2-Nitro-benzenesulfonyl)-piperidin-4-yl-diphenyl-methanol
  作者：S. B. Benaka Prasad、S. Naveen、C. S. Anandakumar、K. Vinaya、N. S. Linge Gowda、M. A. Sridhar、J. Shashidhara Prasad、K. S. Rangappa

  DOI：10.1080/15421400801914988

  日期：2008.3.20

  The title compound 1-(2-nitro-benzenesulfonyl)-piperidin-4-yl-diphenyl-methanol was synthesized by the condensation of [piperidin-4-yl]-diphenyl-methanol with 2-nitro benzene sulfonylchloride in methylene dichloride as solvent and triethylamine as the base. The product obtained was characterized by spectroscopic techniques and the structure was investigated by X-ray crystallography. The compound crystallizes in the monoclinic crystal class in the space group Pc with cell parameters a=9.2360(4) angstrom, b=10.7750(8) angstrom, c=13.4110(8) angstrom, beta=124.162(4)degrees, V=1104.35(12)angstrom(3) for Z=2. The structure reveals that the piperidine ring is in a chair conformation. There is a large discrepancy around the bond angles of the piperidine N atom. The geometry around the S atom is distorted tetrahedron.