5-hydroxyl-6-methacrylate-cholesteryl acetate | 1379511-59-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 5-hydroxyl-6-methacrylate-cholesteryl acetate
• 英文别名: 5-hydroxy-6-methacrylate-cholesteryl acetate
• CAS: 1379511-59-7
• 化学式: C₃₃H₅₄O₅
• 分子量: 530.789
• InChiKey: PGJIMXAVYAWWAL-GLIKTPFKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.25
• 重原子数：
  38.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  72.83
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  胆固醇 在 吡啶 、 对苯二酚 、 间氯过氧苯甲酸 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 144.0h， 生成 5-hydroxyl-6-methacrylate-cholesteryl acetate
  参考文献：
  名称：

  Self-assembly of novel cholesterol derivative based on hydrogen bond

  摘要：

  In this paper, a novel cholesterol derivative was found that it can form regular arrangement with millimeter size when we investigated the synthesis of new cholesterol monomer. The quite interesting thing is that the arrangement can form on common glass sheet after the sample is heating above its melting point and then cooling to room temperature. This is different from most reported regular arrangements formed in solutions. According to the single crystal results of the sample, we believe that the arrangement formed in solid state can be attributed to hydrogen bonding formed between molecular and van der Waals force among molecular. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.08.032

文献信息

• Synthesis and characterization of side-chain cholesterol derivatives based on double bond
  作者：Yun-Long Yu、Jun-Wei Bai、Jun-Hua Zhang

  DOI：10.1016/j.molstruc.2012.03.034

  日期：2012.7

  After steps of esterification, epoxidation and ring-opening, a series of novel monomers of 5-hydroxyl-6-methacryloyloxy-3-alkylate, C(n)COOCh (n = 1, 2, 3, 4, 5) were synthesized. After that, the corresponding polymers (P(n)COOCh, n = 1, 2, 3, 4, 5) were obtained by free radical polymerization. The molecular structure, composition and thermal behaviors of monomers and polymers were confirmed by H-1 NMR, FTIR, single crystal diffractometer, GPC, DSC and TGA. The results indicate that although their molecular weights are not high, all the polymers have high glass transition (T-g) and degradation temperature. In addition, T-g gradually decreases with increasing of alkyl chain lengths, and the degradation temperature increases with the increase of carbon number. (C) 2012 Elsevier B.V. All rights reserved.