(3aS,8aS)-N,2,2-trimethyl-4,4,8,8-tetraphenyl-3a,5,7,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-imine | 1442686-75-0

• 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: (3aS,8aS)-N,2,2-trimethyl-4,4,8,8-tetraphenyl-3a,5,7,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-imine
• CAS: 1442686-75-0
• 化学式: C₃₃H₃₃N₃O₂
• 分子量: 503.644
• InChiKey: MOXKTSSWEQRPMO-FQLXRVMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  54.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 2.0h， 生成 (3aS,8aS)-N,2,2-trimethyl-4,4,8,8-tetraphenyl-3a,5,7,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-imine
  参考文献：
  名称：

  Development of Tartaric Acid Derived Chiral Guanidines and Their Application to Catalytic Enantioselective α-Hydroxylation of β-Dicarbonyl Compounds

  摘要：

  A novel library of chiral guanidines featuring a tartaric acid skeleton was developed from diethyl L-tartrate. These guanidines are easily accessed with tunable style and electronic properties. The utilities of the guanidines were highlighted by their ability to catalyze the alpha-hydroxylation of beta-ketoesters and beta-diketones with remarkable efficiency and excellent enantioselectivity.

  DOI：

  10.1021/ol401306h