1-[((1R,2R)-2-Hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amino]-4-methyl-pent-3-en-2-one | 813413-70-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-[((1R,2R)-2-Hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amino]-4-methyl-pent-3-en-2-one
• CAS: 813413-70-6
• 化学式: C₁₆H₂₃NO₂
• 分子量: 261.364
• InChiKey: XESDZNNLJGYXLO-CJNGLKHVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.58
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  40.54
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (2-溴乙烷-1,1-二基)二苯 、 1-[((1R,2R)-2-Hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amino]-4-methyl-pent-3-en-2-one 在 肼 、 potassium carbonate 作用下， 以 乙醇 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Enantioselective diethylzinc additions to aldehydes catalyzed by chiral relay ligands

  摘要：

  A new pyrazole ligand system incorporating fluxional chirality was found to catalyze the addition of diethylzinc to aldehydes giving rise to the corresponding secondary alcohol products in excellent yields (74-99%) with moderate to high enantioselectivities (46-93%). The size of the fluxional group on the ligand correlated with the level of enantioselectivity of the product. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.09.006
• 作为产物：
  描述：

  1-溴-4-甲基-3-戊烯-2-酮 、 左旋伪麻黄碱 在 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 以80%的产率得到1-[((1R,2R)-2-Hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amino]-4-methyl-pent-3-en-2-one
  参考文献：
  名称：

  Enantioselective diethylzinc additions to aldehydes catalyzed by chiral relay ligands

  摘要：

  A new pyrazole ligand system incorporating fluxional chirality was found to catalyze the addition of diethylzinc to aldehydes giving rise to the corresponding secondary alcohol products in excellent yields (74-99%) with moderate to high enantioselectivities (46-93%). The size of the fluxional group on the ligand correlated with the level of enantioselectivity of the product. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.09.006