2,3-epoxy-undecanoic acid-(2-ethyl-hexyl ester) | 102180-62-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 环氧化物
• 英文名称: 2,3-epoxy-undecanoic acid-(2-ethyl-hexyl ester)
• 英文别名: 2,3-Epoxy-undecansaeure-(2-aethyl-hexylester)；2-Ethylhexyl 3-octyloxirane-2-carboxylate
• CAS: 102180-62-1
• 化学式: C₁₉H₃₆O₃
• 分子量: 312.493
• InChiKey: GSRFQMKNZGOFEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  22
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  壬醛 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium tert-butylate 、 叔丁醇 作用下， 生成 2,3-epoxy-undecanoic acid-(2-ethyl-hexyl ester)
  参考文献：
  名称：

  Ishii et al., Kogyo Kagaku zasshi, 1958, vol. 61, p. 76

  摘要：

  DOI：

文献信息

• [EN] ESTER COMPOUNDS INCLUDING TRIESTERS HAVING TERMINAL VICINAL ACYL GROUPS<br/>[FR] COMPOSÉS ESTERS COMPRENANT DES TRIESTERS AYANT DES GROUPES ACYLE TERMINAUX VICINAUX
  申请人：BIOSYNTHETIC TECHNOLOGIES LLC

  公开号：WO2016153938A1

  公开（公告）日：2016-09-29

  Provided herein are certain esters, including those of the Formula I: Formula I wherein z is an integer selected from 0 to 15; R1, independently for each occurrence, is an optionally substituted alkyl that is saturated or unsaturated, and branched or unbranched; and R2 is selected from hydrogen and optionally substituted alkyl that is saturated or unsaturated, and branched or unbranched. Hydroxy compounds are also described herein, which may be suitable end products, or serve as intermediates, to provide the desired ester products. Also described are compositions containing certain esters (e.g., triesters) and methods of making such esters and compositions thereof.

  本文提供了某些酯类化合物，包括公式I中的化合物：公式I其中z是0到15之间的整数；对于每次出现，R1是一个选择性取代的饱和或不饱和的支链或非支链烷基；R2从氢和选择性取代的饱和或不饱和的支链或非支链烷基中选择。本文还描述了羟基化合物，这些化合物可能是合适的最终产物，或作为中间体，以提供所需的酯类产物。还描述了含有某些酯类化合物（例如三酯类）的组合物以及制备这些酯类化合物和组合物的方法。
• ESTER COMPOUNDS INCLUDING TRIESTERS HAVING TERMINAL VICINAL ACYL GROUPS
  申请人：BIOSYNTHETIC TECHNOLOGIES, LLC.

  公开号：US20160280631A1

  公开（公告）日：2016-09-29

  Provided herein are certain esters, including those of the Formula I: wherein z is an integer selected from 0 to 15; R 1 , independently for each occurrence, is an optionally substituted alkyl that is saturated or unsaturated, and branched or unbranched; and R 2 is selected from hydrogen and optionally substituted alkyl that is saturated or unsaturated, and branched or unbranched. Hydroxy compounds are also described herein, which may be suitable end products, or serve as intermediates, to provide the desired ester products. Also described are compositions containing certain esters (e.g., triesters) and methods of making such esters and compositions thereof.