1-methyl-2-(1-methylethyl)hydrazinecarboxylic acid, 1,1-dimethylethyl ester | 347391-98-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-methyl-2-(1-methylethyl)hydrazinecarboxylic acid, 1,1-dimethylethyl ester
• 英文别名: methyl-2-(1-methylethyl)hydrazinecarboxylic acid,1,1-dimethylethyl ester；tert-butyl N-methyl-N-(propan-2-ylamino)carbamate
• CAS: 347391-98-4
• 化学式: C₉H₂₀N₂O₂
• 分子量: 188.27
• InChiKey: MTZKYBUWLBCTGC-UHFFFAOYSA-N

物化性质

• 沸点：
  216.7±23.0 °C(Predicted)
• 密度：
  0.955±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二氧化碳 、 1-methyl-2-(1-methylethyl)hydrazinecarboxylic acid, 1,1-dimethylethyl ester 、 2-溴乙酸苄酯 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 Benzyl 2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-propan-2-ylcarbamoyl]oxyacetate
  参考文献：
  名称：

  Azadepsipeptides:  Synthesis and Evaluation of a Novel Class of Peptidomimetics

  摘要：

  A general route to azadepsipeptides, a new class of pseudopeptides, has been established. The methodology was applied to the synthesis of a bis-aza analogue of the antiparasitic cyclooctadepsipeptide PF1022A. Comparison of the X-ray crystal structures of natural PF1022A (8) and the chimeric aza analogue 9 revealed that the introduction of nitrogen in the backbone of PF1022A results in almost complete conservation of the 3D structure with only minor deviations at the new nitrogen positions.

  DOI：

  10.1021/jo001749v
• 作为产物：
  描述：

  1,1-dimethylethyl 1-methyl-2-(1-methylethylidene)hydrazinecarboxylate 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 1-methyl-2-(1-methylethyl)hydrazinecarboxylic acid, 1,1-dimethylethyl ester
  参考文献：
  名称：

  Azadepsipeptides:  Synthesis and Evaluation of a Novel Class of Peptidomimetics

  摘要：

  A general route to azadepsipeptides, a new class of pseudopeptides, has been established. The methodology was applied to the synthesis of a bis-aza analogue of the antiparasitic cyclooctadepsipeptide PF1022A. Comparison of the X-ray crystal structures of natural PF1022A (8) and the chimeric aza analogue 9 revealed that the introduction of nitrogen in the backbone of PF1022A results in almost complete conservation of the 3D structure with only minor deviations at the new nitrogen positions.

  DOI：

  10.1021/jo001749v

文献信息

• US9944633B2
  申请人：——

  公开号：US9944633B2

  公开（公告）日：2018-04-17
• Azadepsipeptides:  Synthesis and Evaluation of a Novel Class of Peptidomimetics
  作者：Hubert Dyker、Jürgen Scherkenbeck、Daniel Gondol、Axel Goehrt、Achim Harder

  DOI：10.1021/jo001749v

  日期：2001.6.1

  A general route to azadepsipeptides, a new class of pseudopeptides, has been established. The methodology was applied to the synthesis of a bis-aza analogue of the antiparasitic cyclooctadepsipeptide PF1022A. Comparison of the X-ray crystal structures of natural PF1022A (8) and the chimeric aza analogue 9 revealed that the introduction of nitrogen in the backbone of PF1022A results in almost complete conservation of the 3D structure with only minor deviations at the new nitrogen positions.