Ethyl 2-hydroxy-2-(2-oxopropyl)hexanoate | 99657-75-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: Ethyl 2-hydroxy-2-(2-oxopropyl)hexanoate
• CAS: 99657-75-7
• 化学式: C₁₁H₂₀O₄
• 分子量: 216.277
• InChiKey: URFQYMLZFKKCOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-hydroxy-4-oxopent-2-enoic acid ethyl ester 、 alkaline earth salt of/the/ methylsulfuric acid 在 双氧水 作用下， 生成 ethyl 2-(2-oxopropylidene)hexanoate 、 Ethyl 2-hydroxy-2-(2-oxopropyl)hexanoate
  参考文献：
  名称：

  Novel photochemical alkyl migrations of dialkylboryl acetylacetonate complexes

  摘要：

  DOI：

  10.1021/ja00262a036

文献信息

• EP3752609A1
  申请人：——

  公开号：EP3752609A1

  公开（公告）日：2020-12-23
• PREPARATION OF TERTIARY ALCOHOLS, RESOLUTION OF TERTIARY ALCOHOLS AND STEREOSELECTIVE DEUTERATION OR TRITIATION BY RETROALDOLASES
  申请人：ETH ZURICH

  公开号：US20200407756A1

  公开（公告）日：2020-12-31

  The present invention is directed to methods for catalyzing a chemical reaction by retroaldolases, corresponding uses of retroaldolases and to novel retroaldolases. The methods and retroaldolases have utility in (i) preparing tertiary alcohols, in (ii) chiral resolution of tertiary alcohols by retroaldol cleavage, and in (iii) deuteration or tritiation of carbonyl compounds.
• [EN] PREPARATION OF TERTIARY ALCOHOLS, RESOLUTION OF TERTIARY ALCOHOLS AND STEREOSELECTIVE DEUTERATION OR TRITIATION BY RETROALDOLASES<br/>[FR] PRÉPARATION D'ALCOOLS TERTIAIRES, RÉSOLUTION D'ALCOOLS TERTIAIRES ET DEUTÉRATION OU TRITIATION STÉRÉOSÉLECTIVE PAR RÉTROALDOLASES
  申请人：ETH ZUERICH

  公开号：WO2019158513A1

  公开（公告）日：2019-08-22

  The present invention is directed to methods for catalyzing a chemical reaction by retroaldolases, corresponding uses of retroaldolases and to novel retroaldolases. The methods and retroaldolases have utility in (i) preparing tertiary alcohols, in (ii) chiral resolution of tertiary alcohols by retroaldol cleavage, and in (iii) deuteration or tritiation of carbonyl compounds.