2-tert-Butoxycarbonylamino-4-cyano-2-(2-cyano-ethyl)-butyric acid methyl ester | 891846-46-1

• 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: 2-tert-Butoxycarbonylamino-4-cyano-2-(2-cyano-ethyl)-butyric acid methyl ester
• 英文别名: Methyl 4-cyano-2-(2-cyanoethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate；methyl 4-cyano-2-(2-cyanoethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
• CAS: 891846-46-1
• 化学式: C₁₄H₂₁N₃O₄
• 分子量: 295.338
• InChiKey: LNPRRWKMQQJLJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-tert-Butoxycarbonylamino-4-cyano-2-(2-cyano-ethyl)-butyric acid methyl ester 、 2-氯苯基氯甲酸酯 在 镍 sodium hydroxide 、 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 20.0 ℃ 、344.74 kPa 条件下， 反应 8.0h， 生成 2-tert-butoxycarbonylamino-5-(2-chloro-benzyloxycarbonylamino)-2-[3-(2-chloro-benzyloxycarbonylamino)-propyl]-pentanoic acid methyl ester
  参考文献：
  名称：

  ‘Bis-ornithine’ (2,2-bis(aminopropyl)glycine): a new tetravalent template for assembling different functional peptides

  摘要：

  Synthesis of bis-ornithine. a new C-alpha,C-alpha-disubstituted alpha-amino acid bearing orthogonally protected alpha and delta amine groups is reported. Bis-ornithine (bisOrn) and dipeptides containing bis-ornithine have been synthesized in solution up to multigram scale. As a first example, one of these compounds Boc-beta Ala-bisOrn(Alloc)(2)-OH has been attached to a solid support and used as template for the synthesis of a symmetrical assemblage of peptides. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.03.136
• 作为产物：
  描述：

  在 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 193.0h， 生成 2-tert-Butoxycarbonylamino-4-cyano-2-(2-cyano-ethyl)-butyric acid methyl ester
  参考文献：
  名称：

  ‘Bis-ornithine’ (2,2-bis(aminopropyl)glycine): a new tetravalent template for assembling different functional peptides

  摘要：

  Synthesis of bis-ornithine. a new C-alpha,C-alpha-disubstituted alpha-amino acid bearing orthogonally protected alpha and delta amine groups is reported. Bis-ornithine (bisOrn) and dipeptides containing bis-ornithine have been synthesized in solution up to multigram scale. As a first example, one of these compounds Boc-beta Ala-bisOrn(Alloc)(2)-OH has been attached to a solid support and used as template for the synthesis of a symmetrical assemblage of peptides. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.03.136

文献信息

• ‘Bis-ornithine’ (2,2-bis(aminopropyl)glycine): a new tetravalent template for assembling different functional peptides
  作者：Baptiste Aussedat、Gérard Chassaing、Solange Lavielle、Fabienne Burlina

  DOI：10.1016/j.tetlet.2006.03.136

  日期：2006.5

  Synthesis of bis-ornithine. a new C-alpha,C-alpha-disubstituted alpha-amino acid bearing orthogonally protected alpha and delta amine groups is reported. Bis-ornithine (bisOrn) and dipeptides containing bis-ornithine have been synthesized in solution up to multigram scale. As a first example, one of these compounds Boc-beta Ala-bisOrn(Alloc)(2)-OH has been attached to a solid support and used as template for the synthesis of a symmetrical assemblage of peptides. (c) 2006 Elsevier Ltd. All rights reserved.