2-甲基-2-丙基[(2-甲基-1,2-恶唑烷-5-基)甲基]氨基甲酸酯 | 206268-15-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 2-甲基-2-丙基[(2-甲基-1,2-恶唑烷-5-基)甲基]氨基甲酸酯
• 英文名称: 2-methyl-5-tert-butyloxycarbonylaminomethyl-(1,2)-isoxazolidine
• 英文别名: tert-Butyl ((2-methylisoxazolidin-5-yl)methyl)carbamate；tert-butyl N-[(2-methyl-1,2-oxazolidin-5-yl)methyl]carbamate
• CAS: 206268-15-7
• 化学式: C₁₀H₂₀N₂O₃
• 分子量: 216.28
• InChiKey: HEWMDPUHZFHQDQ-UHFFFAOYSA-N

物化性质

• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-甲基-2-丙基[(2-甲基-1,2-恶唑烷-5-基)甲基]氨基甲酸酯 在 palladium dihydroxide 、 氢气 、 N,N'-二环己基碳二亚胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 生成 1-methyl-3-(bensyloxymethyl)-4-tosyl-5-tert-butyloxycarbonylaminomethyl-perhydro-(1,4)-diazepin-2-one
  参考文献：
  名称：

  Synthesis of new perhydro-(1,4)-diazepin-2-ones as constrained peptidomimetics

  摘要：

  New access to substituted perhydro-(1,4)-diazepin-2-ones has been developed through either a Mitsunobu reaction or an amide bond formation for the cyclisation key step. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00060-4
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 三乙胺 作用下， 以 甲苯 为溶剂， 生成 2-甲基-2-丙基[(2-甲基-1,2-恶唑烷-5-基)甲基]氨基甲酸酯
  参考文献：
  名称：

  Synthesis of new perhydro-(1,4)-diazepin-2-ones as constrained peptidomimetics

  摘要：

  New access to substituted perhydro-(1,4)-diazepin-2-ones has been developed through either a Mitsunobu reaction or an amide bond formation for the cyclisation key step. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00060-4

文献信息

• Synthesis of perhydrodiazepinones as new putative peptidomimetics
  作者：André Nouvet、Marc Binard、Frédéric Lamaty、Jean Martinez、René Lazaro

  DOI：10.1016/s0040-4020(99)00130-1

  日期：1999.4

  New functionalized 7-membered azaheterocycles (perhydrodiazepinones) have been designed as new scaffolds supposed to mimick peptide gamma-turns constrained by an ethylene bridge. They were synthesized by either lactam cyclisation on an aminoacid compound outcoming from a glutamic acid derivative starting material or through an intramolecular Mitsunobu reaction on diaminoalcohol linear precursors. Furthermore, as a new strategy useful for combinatorial chemistry, the second synthesis has been investigated on a soluble polymer support(PEG). (C) 1999 Elsevier Science Ltd. All rights reserved.
• Synthesis of new perhydro-(1,4)-diazepin-2-ones as constrained peptidomimetics
  作者：André Nouvet、Frédéric Lamaty、René Lazaro

  DOI：10.1016/s0040-4039(98)00060-4

  日期：1998.4

  New access to substituted perhydro-(1,4)-diazepin-2-ones has been developed through either a Mitsunobu reaction or an amide bond formation for the cyclisation key step. (C) 1998 Elsevier Science Ltd. All rights reserved.