Tert-butyl 6-(benzylamino)hexanoate | 185426-12-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Tert-butyl 6-(benzylamino)hexanoate
• CAS: 185426-12-4
• 化学式: C₁₇H₂₇NO₂
• 分子量: 277.407
• InChiKey: GAKQPBJQSMQLBY-UHFFFAOYSA-N

物化性质

• 沸点：
  361.7±25.0 °C(Predicted)
• 密度：
  0.979±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Tert-butyl 6-(benzylamino)hexanoate 在 palladium on activated charcoal 氢气 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 25.0 ℃ 、413.69 kPa 条件下， 反应 7.5h， 生成 6-(carboxymethyl-amino)hexanoic acid tert-butyl ester
  参考文献：
  名称：

  Building Units for N-Backbone Cyclic Peptides. 3. Synthesis of Protected N^α-(ω-Aminoalkyl)amino Acids and N^α-(ω-Carboxyalkyl)amino Acids

  摘要：

  An improved synthesis of a family of amino acids that contain omega-aminoalkyl groups and of a new family containing omega-carboxyalkyl groups linked to the alpha-amine is described. The synthesis was performed by alkylation of suitably monoprotected alkylenediamines and protected omega-amino acids with triflates of alpha-hydroxy acid esters. The reaction proceeded with inversion of configuration yielding optically pure products. The N-alpha-(omega-aminoalkyl)amino acids and N-alpha-(omega-carboxyalkyl)amino acids were orthogonally protected to allow their incorporation into peptides by solid-phase peptide synthesis (SPPS) methodology.

  DOI：

  10.1021/jo961580e
• 作为产物：
  描述：

  tert-butyl 6-(((benzyloxy)carbonyl)amino)hexanoate 在 palladium on activated charcoal sodium tetrahydroborate 、 氢气 、 magnesium sulfate 、 三乙胺 作用下， 以 甲醇 、 溶剂黄146 为溶剂， -5.0~25.0 ℃ 、413.69 kPa 条件下， 反应 5.5h， 生成 Tert-butyl 6-(benzylamino)hexanoate
  参考文献：
  名称：

  Building Units for N-Backbone Cyclic Peptides. 3. Synthesis of Protected N^α-(ω-Aminoalkyl)amino Acids and N^α-(ω-Carboxyalkyl)amino Acids

  摘要：

  An improved synthesis of a family of amino acids that contain omega-aminoalkyl groups and of a new family containing omega-carboxyalkyl groups linked to the alpha-amine is described. The synthesis was performed by alkylation of suitably monoprotected alkylenediamines and protected omega-amino acids with triflates of alpha-hydroxy acid esters. The reaction proceeded with inversion of configuration yielding optically pure products. The N-alpha-(omega-aminoalkyl)amino acids and N-alpha-(omega-carboxyalkyl)amino acids were orthogonally protected to allow their incorporation into peptides by solid-phase peptide synthesis (SPPS) methodology.

  DOI：

  10.1021/jo961580e

文献信息

• BIFUNCTIONAL PHOSPHONATE CHELATING AGENTS
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE

  公开号：US20140199243A1

  公开（公告）日：2014-07-17

  Compounds of the following Formula (I): in which A represents either a nitrogen atom, or a ring having 3 to 6 carbon atoms, or an aromatic ring having 5 to 10 members, the ring and the aromatic ring optionally include one or more heteroatoms selected from N, O and S, and W represents a grafting function and X and Y represent chelating functions.

  以下式(I)的化合物： 其中 A代表一个氮原子，或者一个含有3到6个碳原子的环，或者一个具有5到10个成员的芳香环，该环和芳香环可选地包括一个或多个选自N、O和S的杂原子，W代表接枝功能，X和Y代表螯合功能。