3-hydroxy-3-methyl-5-phenyl-valeric acid | 834-22-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 3-hydroxy-3-methyl-5-phenyl-valeric acid
• 英文别名: 3-Hydroxy-3-methyl-5-phenyl-valeriansaeure；3-Hydroxy-3-methyl-5-phenylpentanoic acid
• CAS: 834-22-0
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: BSAWBZRUZBXPSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydroxide 作用下， 生成 3-hydroxy-3-methyl-5-phenyl-valeric acid
  参考文献：
  名称：

  Canonica; Pelizzoni, Rendiconti - Istituto Lombardo Accademia di Scienze e Lettere, A: Scienze Matematiche, Fisiche, Chimiche e Geologiche, 1954, vol. 87, p. 356,361

  摘要：

  DOI：

文献信息

• [EN] SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES<br/>[FR] SYSTÈMES ET PROCÉDÉS DE CARBONYLATION RÉGIOSÉLECTIVE D'ÉPOXYDES 2,2-DISUBSTITUÉS
  申请人：UNIV CORNELL

  公开号：WO2020102816A1

  公开（公告）日：2020-05-22

  Provided are methods of carbonylating cyclic substrates to produce carbonyl ated cyclic products. The cyclic substrates may be 2, 2-di substituted epoxides and the cyclic products may be β,β-di substituted lactones. The method may be carried out by forming and pressurizing a reaction mixture of the cyclic substrate, a solvent, carbon monoxide, and a [LA+][CO(CO)4-] catalyst, where [LA+] is a Lewis acid capable of coordinating to the cyclic substrate. The method may proceed with a regioselectivity of 90:10 or greater. The resulting carbonylated cyclic products may be converted to ketone aldol products that retain the stereochemistry and enantiomeric ratio of the carbonyl ated cyclic products.

  提供了一种将环状底物羰基化以产生羰基化环状产物的方法。环状底物可以是2,2-二取代环氧化物，环状产物可以是β,β-二取代内酯。该方法可以通过形成并加压环状底物、溶剂、一氧化碳和[LA+][CO(CO)4-]催化剂的反应混合物来进行，其中[LA+]是能够与环状底物配位的路易斯酸。该方法可能以90:10或更高的区域选择性进行。所得的羰基化环状产物可以转化为保留羰基化环状产物的立体化学和对映比的酮醇产物。
• SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES
  申请人：CORNELL UNIVERSITY

  公开号：US20210403445A1

  公开（公告）日：2021-12-30

  Provided are methods of carbonylating cyclic substrates to produce carbonylated cyclic products. The cyclic substrates may be 2, 2-di substituted epoxides and the cyclic products may be β,β-di substituted lactones. The method may be carried out by forming and pressurizing a reaction mixture of the cyclic substrate, a solvent, carbon monoxide, and a [LA + ][CO(CO)4 − ] catalyst, where [LA + ] is a Lewis acid capable of coordinating to the cyclic substrate. The method may proceed with a regio selectivity of 90:10 or greater. The resulting carbonylated cyclic products may be converted to ketone aldol products that retain the stereochemistry and enantiomeric ratio of the carbonylated cyclic products.