(S)-5,5,5-trifluoro-4-hydroxy-1,1-dimethoxy-4-phenylpentan-2-one | 1023283-82-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-5,5,5-trifluoro-4-hydroxy-1,1-dimethoxy-4-phenylpentan-2-one
• 英文别名: (4S)-5,5,5-trifluoro-4-hydroxy-1,1-dimethoxy-4-phenylpentan-2-one
• CAS: 1023283-82-0
• 化学式: C₁₃H₁₅F₃O₄
• 分子量: 292.255
• InChiKey: BFQBGVALXGRLJE-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1,1-二甲氧基丙酮 、 2,2,2-三氟苯乙酮 在 C₂₀H₂₅N₃O*2C₇H₆O₃ 作用下， 以 水 、 甲苯 为溶剂， 反应 72.0h， 以79%的产率得到
  参考文献：
  名称：

  α-酮腙和α,β-不饱和γ-酮腙与三氟甲基酮的不对称交叉羟醛反应

  摘要：

  α-酮腙和α,β-不饱和γ-酮腙是合适的亲核试剂，用于通过氮杂二（三）烯胺型中间体与三氟甲基酮进行不对称交叉羟醛反应。奎尼丁衍生的伯胺催化剂以良好的收率和高对映选择性提供三氟甲基化叔醇。腙部分的后续转化产生了吸引人的氟化羧酸、1,4-二羰基和γ-酮酸。

  DOI：

  10.1039/d1cc05014a

文献信息

• [EN] 5-SUBSTITUTED-5-HYDROXY-5-ARYL-3-OXO-PENTANOATE DERIVATIVES AND THEIR ENANTIOPURE FORMS<br/>[FR] DÉRIVÉS DE 5-HYDROXY-5-ARYL-3-OXO-PENTANOATE SUBSTITUÉS EN 5 ET LEURS FORMES ÉNANTIOPURES
  申请人：OKINAWA INST SCIENCE & TECH SCHOOL CORP

  公开号：WO2016151990A1

  公开（公告）日：2016-09-29

  The present invention relates to novel tertiary alcohol derivatives substituted with aryl and trifluoromethyl, and optical isomers thereof. In addition, the present invention also relates to methods for the preparation and use as enantiomer recognition agent thereof. The present invention provides pharmaceutical composition and use as therapeutically active substance thereof.

  本发明涉及带有芳基和三氟甲基取代基的新型三级醇衍生物及其光学异构体。此外，本发明还涉及用作对映体识别试剂的制备和使用方法。本发明提供了药物组合物及其用作治疗活性物质的用途。
• 5-substituted-5-hydroxy-5-aryl-3-oxo-pentanoate derivatives and their enantiopure forms
  申请人：OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION

  公开号：US10125074B2

  公开（公告）日：2018-11-13

  The present invention relates to novel tertiary alcohol derivatives substituted with aryl and trifluoromethyl, and optical isomers thereof. In addition, the present invention also relates to methods for the preparation and use as enantiomer recognition agent thereof. The present invention provides pharmaceutical composition and use as therapeutically active substance thereof.

  本发明涉及被芳基和三氟甲基取代的新型叔醇衍生物及其光学异构体。此外，本发明还涉及其对映体识别剂的制备方法和用途。本发明提供了药物组合物及其作为治疗活性物质的用途。
• Asymmetric Direct Aldol Reactions of Pyruvic Derivatives
  作者：Sanzhong Luo、Hui Xu、Liujuan Chen、Jin-Pei Cheng

  DOI：10.1021/ol800471b

  日期：2008.5.1

  Simple chiral primary - tertiary diamine - Bronsted acid conjugates such as 1e can effectively catalyze the direct aldol reactions of pyruvic derivatives with excellent syn diastereoselectivities and enantioselectivities, thus functionally mimicking the pyruvate-dependent type I aldolases.
• 5-SUBSTITUTED-5-HYDROXY-5-ARYL-3-OXO-PENTANOATE DERIVATIVES AND THEIR ENANTIOPURE FORMS
  申请人：OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION

  公开号：US20180118648A1

  公开（公告）日：2018-05-03

  The present invention relates to novel tertiary alcohol derivatives substituted with aryl and trifluoromethyl, and optical isomers thereof. In addition, the present invention also relates to methods for the preparation and use as enantiomer recognition agent thereof. The present invention provides pharmaceutical composition and use as therapeutically active substance thereof.