(RS)-2-amino-2-ethylheptanenitrile | 58577-06-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (RS)-2-amino-2-ethylheptanenitrile
• 英文别名: 2-Amino-2-ethylheptanenitrile
• CAS: 58577-06-3
• 化学式: C₉H₁₈N₂
• 分子量: 154.255
• InChiKey: MJOXPSPUKOOGCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (RS)-2-amino-2-ethylheptanenitrile 在 硫酸 、 amidase from Ochrobactrum anthropi 、 三乙胺 作用下， 以 水 、 乙腈 为溶剂， 反应 39.0h， 生成
  参考文献：
  名称：

  Chiral, fully extended helical peptides

  摘要：

  The synthesis of the N-protected (blocked) homo-peptide esters from the chiral C-alpha-ethyl, C-alpha-n-pentylglycine was performed in solution to the hexapeptide level. The conformational propensity exhibited by these oligomers in chloroform solution and in the crystal state was assessed by use of FTIR absorption, NMR, and X-ray diffraction. The results indicated that fully extended helical structures (2.0(5)-helices) are overwhelmingly adopted irrespective of the peptide main-chain length. This oligomeric series is of great interest as it is characterized by the longest C (i) (alpha) ,aEuro broken vertical bar, C (i+1) (alpha) (per residue) separation achievable in the class of chiral, rigid, helical peptide spacers based on alpha-amino acids.

  DOI：

  10.1007/s00726-011-0839-9
• 作为产物：
  描述：

  sodium cyanide 、 3-辛酮 在 氨 、 溶剂黄146 、 氯化铵 作用下， 以 甲醇 、 水 为溶剂， 反应 24.0h， 生成 (RS)-2-amino-2-ethylheptanenitrile
  参考文献：
  名称：

  Chiral, fully extended helical peptides

  摘要：

  The synthesis of the N-protected (blocked) homo-peptide esters from the chiral C-alpha-ethyl, C-alpha-n-pentylglycine was performed in solution to the hexapeptide level. The conformational propensity exhibited by these oligomers in chloroform solution and in the crystal state was assessed by use of FTIR absorption, NMR, and X-ray diffraction. The results indicated that fully extended helical structures (2.0(5)-helices) are overwhelmingly adopted irrespective of the peptide main-chain length. This oligomeric series is of great interest as it is characterized by the longest C (i) (alpha) ,aEuro broken vertical bar, C (i+1) (alpha) (per residue) separation achievable in the class of chiral, rigid, helical peptide spacers based on alpha-amino acids.

  DOI：

  10.1007/s00726-011-0839-9

文献信息

• US3987025A
  申请人：——

  公开号：US3987025A

  公开（公告）日：1976-10-19
• US4061590A
  申请人：——

  公开号：US4061590A

  公开（公告）日：1977-12-06
• Chiral, fully extended helical peptides
  作者：Marco Crisma、Alessandro Moretto、Cristina Peggion、Lavinia Panella、Bernard Kaptein、Quirinus B. Broxterman、Fernando Formaggio、Claudio Toniolo

  DOI：10.1007/s00726-011-0839-9

  日期：2011.8

  The synthesis of the N-protected (blocked) homo-peptide esters from the chiral C-alpha-ethyl, C-alpha-n-pentylglycine was performed in solution to the hexapeptide level. The conformational propensity exhibited by these oligomers in chloroform solution and in the crystal state was assessed by use of FTIR absorption, NMR, and X-ray diffraction. The results indicated that fully extended helical structures (2.0(5)-helices) are overwhelmingly adopted irrespective of the peptide main-chain length. This oligomeric series is of great interest as it is characterized by the longest C (i) (alpha) ,aEuro broken vertical bar, C (i+1) (alpha) (per residue) separation achievable in the class of chiral, rigid, helical peptide spacers based on alpha-amino acids.