tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-[4-[5-methyl-4-[4-(octylcarbamoyl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-5-(octylamino)-1,3-oxazol-2-yl]ethyl]carbamate | 1222400-73-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-[4-[5-methyl-4-[4-(octylcarbamoyl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-5-(octylamino)-1,3-oxazol-2-yl]ethyl]carbamate
• CAS: 1222400-73-8
• 化学式: C₃₈H₆₂N₆O₆S
• 分子量: 731.013
• InChiKey: VVORICAWKMDNRR-NDEPHWFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  51
• 可旋转键数：
  25
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  183
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  辛胺 、 methyl 2-[2-[5-bromo-2-[(1R)-2-tert-butylsulfanyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate 在 potassium phosphate 、 palladium diacetate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 乙二醇二甲醚 为溶剂， 反应 24.0h， 以70%的产率得到tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-[4-[5-methyl-4-[4-(octylcarbamoyl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-5-(octylamino)-1,3-oxazol-2-yl]ethyl]carbamate
  参考文献：
  名称：

  Derivatization of a tris-oxazole using Pd-catalyzed coupling reactions of a 5-bromooxazole moiety

  摘要：

  Modification at the C5 position of an oxazole ring contained in a 2,4-concatenated tris-oxazole by Pd-catalyzed coupling reactions was performed. Novel Pd-catalyzed amination and alkoxylation of a 5-bromooxazole derivative as well as Suzuki-Miyaura coupling and Migita-Stille coupling have been demonstrated. A wide variety of functional groups, including aryl, heteroaryl, primary and secondary amines, and phenol, were introduced in the 5-bromooxazole moiety in moderate to excellent yields using Pd(OAc)(2)/S-PHOS or Pd(OAc)(2)/X-PHOS as a catalyst. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.01.064