tert-butyl N-[2-[[1-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]-2-oxoethyl]carbamate | 199386-98-6

• 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-[2-[[1-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]-2-oxoethyl]carbamate
• CAS: 199386-98-6
• 化学式: C₃₄H₃₈N₄O₆
• 分子量: 598.699
• InChiKey: GGUKHZRUZVVESI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  44
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 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：

  三氟乙酸 、 tert-butyl N-[2-[[1-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]-2-oxoethyl]carbamate 反应 2.5h， 以100%的产率得到2-Amino-N-[2'-(2-amino-acetylamino)-[1,1']binaphthalenyl-2-yl]-acetamide; compound with trifluoro-acetic acid
  参考文献：
  名称：

  Cyclic polyamides consisting of 1,1′-binaphthyls. ‘Chiral twist’ of glycine residues

  摘要：

  Two cyclic polyamides were prepared from glycine and 1,1'-binaphthyls, and their structures have been determined by single-crystal X-ray analysis. Local conformations of glycines are twisted when they are sandwiched between two (R)-1,1'-binaphthyls. Glycines are stretched into planer conformations when they are placed between an (R)-1,1'-binaphthyl and an (S)-1,1'-binaphthyl. Conformations of these two cyclic polyamides in organic solvents and their interaction with other organic molecules are also discussed. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00460-6
• 作为产物：
  描述：

  BOC-甘氨酸 在 N-甲基吗啉 作用下， 以 四氢呋喃 为溶剂， 反应 19.5h， 生成 tert-butyl N-[2-[[1-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]-2-oxoethyl]carbamate
  参考文献：
  名称：

  Cyclic polyamides consisting of 1,1′-binaphthyls. ‘Chiral twist’ of glycine residues

  摘要：

  Two cyclic polyamides were prepared from glycine and 1,1'-binaphthyls, and their structures have been determined by single-crystal X-ray analysis. Local conformations of glycines are twisted when they are sandwiched between two (R)-1,1'-binaphthyls. Glycines are stretched into planer conformations when they are placed between an (R)-1,1'-binaphthyl and an (S)-1,1'-binaphthyl. Conformations of these two cyclic polyamides in organic solvents and their interaction with other organic molecules are also discussed. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00460-6