tert-butyl (S)-(1-(bis([1,1'-biphenyl]-4-ylmethyl)amino)-3,3-dimethyl-1-oxobutan-2-yl)carbamate | 1023287-33-3

• 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 (S)-(1-(bis([1,1'-biphenyl]-4-ylmethyl)amino)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
• CAS: 1023287-33-3
• 化学式: C₃₇H₄₂N₂O₃
• 分子量: 562.752
• InChiKey: YJJYOVGGXPPZRD-MGBGTMOVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.49
• 重原子数：
  42.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  58.64
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (S)-(1-(bis([1,1'-biphenyl]-4-ylmethyl)amino)-3,3-dimethyl-1-oxobutan-2-yl)carbamate 在 三氟甲磺酸三甲基硅酯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.75h， 生成
  参考文献：
  名称：

  Cooperative, Highly Enantioselective Phosphinothiourea Catalysis of Imine−Allene [3 + 2] Cycloadditions

  摘要：

  A new family of phosphinthiourea catalysts was developed for the highly enantioselective synthesis of 2-aryl-2,5-hydropyrroles via a [3 + 2] cycloaddition of an electron-deficient allene with aryl and heteroaryl diphenylphosphinoylimines. The presence of both H(2)O and Et(3)N as additives was found to be important for achieving optimal rates. Dual activation of both nucleophile and electrophile by the bifunctional catalyst is invoked to account for the observed high reactivity and enantioselectivity.

  DOI：

  10.1021/ja801344w
• 作为产物：
  描述：

  N-Boc-L-叔亮氨酸 、 bis(biphenyl-4-ylmethyl)amine 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以1.92 g的产率得到tert-butyl (S)-(1-(bis([1,1'-biphenyl]-4-ylmethyl)amino)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
  参考文献：
  名称：

  Cooperative, Highly Enantioselective Phosphinothiourea Catalysis of Imine−Allene [3 + 2] Cycloadditions

  摘要：

  A new family of phosphinthiourea catalysts was developed for the highly enantioselective synthesis of 2-aryl-2,5-hydropyrroles via a [3 + 2] cycloaddition of an electron-deficient allene with aryl and heteroaryl diphenylphosphinoylimines. The presence of both H(2)O and Et(3)N as additives was found to be important for achieving optimal rates. Dual activation of both nucleophile and electrophile by the bifunctional catalyst is invoked to account for the observed high reactivity and enantioselectivity.

  DOI：

  10.1021/ja801344w