tert-butyl N-[(1R,2R)-2-[[2-[[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-oxoacetyl]amino]cyclohexyl]carbamate | 323187-43-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl N-[(1R,2R)-2-[[2-[[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-oxoacetyl]amino]cyclohexyl]carbamate
• CAS: 323187-43-5
• 化学式: C₂₄H₄₂N₄O₆
• 分子量: 482.621
• InChiKey: OCFUGYBSBVHKRH-BRSBDYLESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  135
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[(1R,2R)-2-[[2-[[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-oxoacetyl]amino]cyclohexyl]carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以99%的产率得到oxalyl (1R,2R)-N,N'-bis[2-(amino)cyclohexyl]diamide
  参考文献：
  名称：

  Amide catalysts with tetradentate ligands and the asymmetric transfer hydrogenation of carbonyl compounds

  摘要：

  Amidic tetradentate catalysts comprising two trans-1,2-cyclohexanediamine units linked via a dicarbonyl spacer are shown to provide useful enantiomeric excesses in the asymmetric transfer hydrogenation from propan-2-ol to aromatic ketones. N-Benzylation of the terminal amino groups results, in several cases, in reversal of the absolute configuration of the major product. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01621-x
• 作为产物：
  描述：

  二碳酸二叔丁酯 以 乙醇 为溶剂， 反应 32.0h， 生成 tert-butyl N-[(1R,2R)-2-[[2-[[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-oxoacetyl]amino]cyclohexyl]carbamate
  参考文献：
  名称：

  Amide catalysts with tetradentate ligands and the asymmetric transfer hydrogenation of carbonyl compounds

  摘要：

  Amidic tetradentate catalysts comprising two trans-1,2-cyclohexanediamine units linked via a dicarbonyl spacer are shown to provide useful enantiomeric excesses in the asymmetric transfer hydrogenation from propan-2-ol to aromatic ketones. N-Benzylation of the terminal amino groups results, in several cases, in reversal of the absolute configuration of the major product. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01621-x

文献信息

• Amide catalysts with tetradentate ligands and the asymmetric transfer hydrogenation of carbonyl compounds
  作者：Charles M Marson、Ido Schwarz

  DOI：10.1016/s0040-4039(00)01621-x

  日期：2000.11

  Amidic tetradentate catalysts comprising two trans-1,2-cyclohexanediamine units linked via a dicarbonyl spacer are shown to provide useful enantiomeric excesses in the asymmetric transfer hydrogenation from propan-2-ol to aromatic ketones. N-Benzylation of the terminal amino groups results, in several cases, in reversal of the absolute configuration of the major product. (C) 2000 Elsevier Science Ltd. All rights reserved.