环十二烷基丙酸酯 | 6221-94-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 环十二烷基丙酸酯
• 英文名称: cyclododecyl propionate
• 英文别名: Cyclododecyl propanoate
• CAS: 6221-94-9
• 化学式: C₁₅H₂₈O₂
• 分子量: 240.386
• InChiKey: FFBFQWUCOCYWIH-UHFFFAOYSA-N

物化性质

• 沸点：
  298.4±8.0 °C(Predicted)
• 密度：
  0.92±0.1 g/cm3(Predicted)
• 保留指数：
  1760

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  环十二醇 、 丙酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以69%的产率得到环十二烷基丙酸酯
  参考文献：
  名称：

  Odor–Structure Relationships Using Fluorine as a Probe

  摘要：

  Eight ethers, nine esters and one ketone were submitted to a systematic structural variation by replacing a hydrogen atom in the vicinity of the oxofunction by fluorine and methyl. As long as steric factors dominate, a fluorine substituent alters the olfactory properties of the parent compound much less than a methyl substituent does. However, if it occupies a position adjacent to a carbonyl group the halogen may more profoundly affect the odor perception, presumably as a consequence of conformational changes. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00351-3

文献信息

• Palladium-Catalyzed Direct Dicarbonylation of Amines with Ethylene to Imides
  作者：Chang-Sheng Kuai、Le-Cheng Wang、Jian-Xing Xu、Xiao-Feng Wu

  DOI：10.1021/acs.orglett.1c04142

  日期：2022.1.14

  value-added products through catalytic strategy has a wide range of practical significance. Here, a palladium-catalyzed method for the direct and efficient dicarbonylation of amines with basic industrial feedstock ethylene to imide has been developed. Moderate to excellent yields of the desired imides can be produced from readily available amines in a straightforward manner.

  通过催化策略将低成本、简单的大宗化学品选择性有效地转化为高附加值产品具有广泛的现实意义。在这里，已经开发了一种钯催化的方法，用于将胺与基本工业原料乙烯直接有效地二羰基化为酰亚胺。可以从容易获得的胺以简单的方式生产中等至优异产率的所需酰亚胺。
• Odor–Structure Relationships Using Fluorine as a Probe
  作者：Dominique Michel、Manfred Schlosser

  DOI：10.1016/s0040-4020(00)00351-3

  日期：2000.6

  Eight ethers, nine esters and one ketone were submitted to a systematic structural variation by replacing a hydrogen atom in the vicinity of the oxofunction by fluorine and methyl. As long as steric factors dominate, a fluorine substituent alters the olfactory properties of the parent compound much less than a methyl substituent does. However, if it occupies a position adjacent to a carbonyl group the halogen may more profoundly affect the odor perception, presumably as a consequence of conformational changes. (C) 2000 Elsevier Science Ltd. All rights reserved.