(4R)-4-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-1,3-dioxan-5-one | 1007839-86-2

• 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: (4R)-4-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-1,3-dioxan-5-one
• CAS: 1007839-86-2
• 化学式: C₁₄H₁₅F₃O₄
• 分子量: 304.266
• InChiKey: SRPUSHMJZMVGKP-NEPJUHHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  对三氟甲基苯甲醛 、 2,2-二甲基-1,3-二恶烷-5-酮 在 三氟甲磺酸 、 chiral diamine 、 间硝基苯甲酸 作用下， 反应 13.0h， 生成 、 (4R)-4-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-1,3-dioxan-5-one 、
  参考文献：
  名称：

  Highly Enantioselective Direct syn- and anti-Aldol Reactions of Dihydroxyacetones Catalyzed by Chiral Primary Amine Catalysts

  摘要：

  We present herein simple primary-tertiary diamine-Bronsted acid conjugates that catalyze both syn- and anti-adol reactions of dihydroxyacetones (DHAs) with high diastereoselectivities and enantioselectivities. This type of organocatalysts functionally mimics all four DHA aldolases, namely L-fuculose-1-phosphate aldolase, D-tagatose-1,6-diphosphate aldolase, D-fructose-1,6-diphosphate aldolase, and L-rhamnulose-1-phosphate aldolase.

  DOI：

  10.1021/ol703023t

文献信息

• Highly Enantioselective Direct <i>syn</i>- and <i>anti</i>-Aldol Reactions of Dihydroxyacetones Catalyzed by Chiral Primary Amine Catalysts
  作者：Sanzhong Luo、Hui Xu、Long Zhang、Jiuyuan Li、Jin-Pei Cheng

  DOI：10.1021/ol703023t

  日期：2008.2.1

  We present herein simple primary-tertiary diamine-Bronsted acid conjugates that catalyze both syn- and anti-adol reactions of dihydroxyacetones (DHAs) with high diastereoselectivities and enantioselectivities. This type of organocatalysts functionally mimics all four DHA aldolases, namely L-fuculose-1-phosphate aldolase, D-tagatose-1,6-diphosphate aldolase, D-fructose-1,6-diphosphate aldolase, and L-rhamnulose-1-phosphate aldolase.