2-甲基-2-丙基[2-羟基-4-(甲基氨基)丁基]氨基甲酸酯 | 206268-20-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-甲基-2-丙基[2-羟基-4-(甲基氨基)丁基]氨基甲酸酯
• 英文名称: 1-N-tert-butyloxycarbonyl-4-N-methyl-(1,4)-diaminobutan-2-ol
• 英文别名: tert-butyl N-[2-hydroxy-4-(methylamino)butyl]carbamate
• CAS: 206268-20-4
• 化学式: C₁₀H₂₂N₂O₃
• 分子量: 218.296
• InChiKey: QRIOSGZHERBFMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  70.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-甲基-2-丙基[2-羟基-4-(甲基氨基)丁基]氨基甲酸酯 在 三乙胺 、 N,N'-二环己基碳二亚胺 、 三苯基膦 、 三氟乙酸 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 41.5h， 生成 1-methyl-4-tosyl-5-aminomethyl-perhydro-(1,4)-diazepin-2-one
  参考文献：
  名称：

  Synthesis of perhydrodiazepinones as new putative peptidomimetics

  摘要：

  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.

  DOI：

  10.1016/s0040-4020(99)00130-1
• 作为产物：
  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 作用下， 以 乙醇 为溶剂， 生成 2-甲基-2-丙基[2-羟基-4-(甲基氨基)丁基]氨基甲酸酯
  参考文献：
  名称：

  Synthesis of perhydrodiazepinones as new putative peptidomimetics

  摘要：

  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.

  DOI：

  10.1016/s0040-4020(99)00130-1

文献信息

• 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.
• 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.