| 1523095-43-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1523095-43-3
• 化学式: C₁₉H₃₀N₂O₂
• 分子量: 318.459
• InChiKey: YLFQZUSURZOBPU-IAGOWNOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.95
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  41.57
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 4-二甲氨基吡啶 、 1,3-双(2,6-二-异丙基苯基)咪唑-2-亚基金(I)氯化物 、 10 wt% Pd(OH)2 on carbon 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 、 二氯甲烷 、 氯仿 、 1,2-二氯乙烷 为溶剂， 20.0~60.0 ℃ 、101.33 kPa 条件下， 反应 68.03h， 生成 tert-butyl (5aR,9aR)-2-(3-(benzyloxy)propyl)-5-methyl-4-oxo4,5,5a,6,7,8,9,9a-octahydro-1H-benzo[b][1,4]diazepine-1-carboxylate
  参考文献：
  名称：

  Gold Catalyzed 7-endo-dig Hydroaminations Yielding 1,4-Diazepineones

  摘要：

  DOI：

  10.1021/acs.joc.3c01215
• 作为产物：
  描述：

  在 sodium tetrahydroborate 、 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 反应 7.5h， 生成
  参考文献：
  名称：

  A chiral primary-tertiary-1,2-diamine as an efficient catalyst in asymmetric aldehyde–ketone or ketone–ketone aldol reactions

  摘要：

  A novel chiral 1,2-diaminocyclohexane derivative, (1R,2R)-N-1-n-pentyl, N-1-benzyl-1,2-cyclohexanediamine, was designed, synthesized and applied as a catalyst in a number of aldol reactions between ketones and aryl aldehydes. Reactions between acetone and aryl aldehydes gave aldol products with moderate to good yields and with excellent enantioselectivity (up to yield 85%, ee 98%), while reactions between cyclohexanone and aryl aldehydes provided anti-beta-hydroxyketone products with excellent yields, diastereoselectivity and with enantioselectivity (up to 82% yield, anti/syn ratio 99:1, ee 99%). The aldol reactions between acetone and isatins were investigated, which afforded excellent yields and enantioselectivity (up to 95% yield, 98% ee). The (R)- and (S)-isomers of convolutamydine A were obtained with 95% yield and 96% ee, and 95% yield and 94% ee, respectively. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2013.09.026

文献信息

• Highly stereoselective direct aldol reactions catalyzed by a bifunctional chiral diamine
  作者：Lei Li、Shaohua Gou、Fei Liu

  DOI：10.1016/j.tetasy.2013.11.017

  日期：2014.1

  The enantioselective organocatalytic direct aldol reactions of ketones with various aldehydes were developed by using chiral 1,2-cyclohexanediamine COACH) based multifunctional ligands via a noncovalent catalysis mechanism. By using a catalyst, we also obtained functionalized 3-alkyl-3-hydroxyindolin-2-ones in high yields and with good to excellent enantioselectivities. (C) 2013 Elsevier Ltd. All rights reserved.