4,4,5,5,11,11,12,12-octamethyl-3,6,10,13-tetraoxa-1,15-pentadecanediol | 1163299-89-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,4,5,5,11,11,12,12-octamethyl-3,6,10,13-tetraoxa-1,15-pentadecanediol
• 英文别名: 2-[3-[3-[3-(2-Hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxypropoxy]-2,3-dimethylbutan-2-yl]oxyethanol
• CAS: 1163299-89-5
• 化学式: C₁₉H₄₀O₆
• 分子量: 364.523
• InChiKey: VBGLPWIFSLCWIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  25
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  77.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,4,5,5,11,11,12,12-octamethyl-3,6,10,13-tetraoxa-1,15-pentadecanediol 在 sodium hydroxide 、 对甲苯磺酰氯 作用下， 以 1,4-二氧六环 为溶剂， 反应 76.0h， 以68%的产率得到2,2,3,3,11,11,12,12-octamethyl-1,4,7,10,13-pentaoxacyclohexadecane
  参考文献：
  名称：

  2,2,3,3,11,11,12,12-Octamethyl-1,4,7,10,13-pentaoxacyclohexadecane: improved synthesis and crystal structure with NaSCN

  摘要：

  An efficient synthesis of 2,2,3,3,11,11,12,12-octamethyl-1,4,7,10,13-pentaoxacyclohexadecane (1,OM16C5) is described, which affords over an order of magnitude improvement in yield over the previously reported method. The first X-ray crystal structure of 1, as a complex with NaSCN, is also reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.221
• 作为产物：
  描述：

  5,5,6,6,12,12,13,13-octamethyl-4,7,11,14-tetraoxa-1,16-heptadecanediene 在 臭氧 、 sodium tetrahydroborate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以88%的产率得到4,4,5,5,11,11,12,12-octamethyl-3,6,10,13-tetraoxa-1,15-pentadecanediol
  参考文献：
  名称：

  2,2,3,3,11,11,12,12-Octamethyl-1,4,7,10,13-pentaoxacyclohexadecane: improved synthesis and crystal structure with NaSCN

  摘要：

  An efficient synthesis of 2,2,3,3,11,11,12,12-octamethyl-1,4,7,10,13-pentaoxacyclohexadecane (1,OM16C5) is described, which affords over an order of magnitude improvement in yield over the previously reported method. The first X-ray crystal structure of 1, as a complex with NaSCN, is also reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.221

文献信息

• 2,2,3,3,11,11,12,12-Octamethyl-1,4,7,10,13-pentaoxacyclohexadecane: improved synthesis and crystal structure with NaSCN
  作者：Fanny Loustau-Chartez、Rachel M. Robeson、Radu Custelcean、Richard A. Sachleben、Peter V. Bonnesen

  DOI：10.1016/j.tetlet.2009.03.221

  日期：2009.6

  An efficient synthesis of 2,2,3,3,11,11,12,12-octamethyl-1,4,7,10,13-pentaoxacyclohexadecane (1,OM16C5) is described, which affords over an order of magnitude improvement in yield over the previously reported method. The first X-ray crystal structure of 1, as a complex with NaSCN, is also reported. (C) 2009 Elsevier Ltd. All rights reserved.