| 1443157-78-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1443157-78-5
• 化学式: C₁₀H₁₈Cl₂O₄
• 分子量: 273.157
• InChiKey: DULOFNMPIPWLSP-ZYUZMQFOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.97
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-苄基咪唑 、 在 吡啶 、 四氯化碳 、 三苯基膦 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以98%的产率得到3,3'-(((2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-diyl)bis(methylene))bis(1-benzyl-1H-imidazol-3-ium) chloride
  参考文献：
  名称：

  Enantioselective catalytic synthesis of ethyl mandelate derivatives using Rh(I)–NHC catalysts and organoboron reagents

  摘要：

  Herein we describe for the first time the enantioselective catalytic arylation of ethyl glyoxalate using phenylboron reagents and chiral rhodium(I)-NHC catalysts. (KOBu)-Bu-t was the base of choice, along with tert-amyl alcohol as the solvent. A novel chiral bis-imidazolium salt was synthesized and evaluated for the first time in this catalytic transformation. Although moderate enantioselectivities (up to 34% ee) were obtained for the phenylation reaction, despite the excellent yields, very low enantioselectivities were obtained using other arylboronic acids with a variety of chiral rhodium(I)-NHC catalysts. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2013.04.011
• 作为产物：
  描述：

  (2R,3R,5R,6R)-2,3-dihydroxymethyl-5,6-dimethoxy-5,6-dimethyl-[1,4]-dioxane 在 吡啶 、 四氯化碳 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Enantioselective catalytic synthesis of ethyl mandelate derivatives using Rh(I)–NHC catalysts and organoboron reagents

  摘要：

  Herein we describe for the first time the enantioselective catalytic arylation of ethyl glyoxalate using phenylboron reagents and chiral rhodium(I)-NHC catalysts. (KOBu)-Bu-t was the base of choice, along with tert-amyl alcohol as the solvent. A novel chiral bis-imidazolium salt was synthesized and evaluated for the first time in this catalytic transformation. Although moderate enantioselectivities (up to 34% ee) were obtained for the phenylation reaction, despite the excellent yields, very low enantioselectivities were obtained using other arylboronic acids with a variety of chiral rhodium(I)-NHC catalysts. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2013.04.011