膦酸,[9-氯-3-(2-氯乙氧基)-6-(2-氯乙基)-1,4-二甲基-3,6-二羟基-2,5,7-三氧杂-3,6-二磷杂壬-1-基]-,8-氯-2,5-二(2-氯乙氧基)-1,4-二甲基-2,5-二羟基-3,6-二氧杂-2,5-二磷杂辛-1-基2-氯乙基酯(9CI) | 88722-32-1

• 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
• 中文名称: 膦酸,[9-氯-3-(2-氯乙氧基)-6-(2-氯乙基)-1,4-二甲基-3,6-二羟基-2,5,7-三氧杂-3,6-二磷杂壬-1-基]-,8-氯-2,5-二(2-氯乙氧基)-1,4-二甲基-2,5-二羟基-3,6-二氧杂-2,5-二磷杂辛-1-基2-氯乙基酯(9CI)
• 英文名称: N-(β-Aminoethyl)-DL-alanin
• 英文别名: 2-(2-Aminoethylamino)propanoic acid
• CAS: 88722-32-1
• 化学式: C₅H₁₂N₂O₂
• 分子量: 132.162
• InChiKey: LWXIHPKOLTXDET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  75.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  膦酸,[9-氯-3-(2-氯乙氧基)-6-(2-氯乙基)-1,4-二甲基-3,6-二羟基-2,5,7-三氧杂-3,6-二磷杂壬-1-基]-,8-氯-2,5-二(2-氯乙氧基)-1,4-二甲基-2,5-二羟基-3,6-二氧杂-2,5-二磷杂辛-1-基2-氯乙基酯(9CI) 在 盐酸 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 25.0h， 生成 Methyl 2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate
  参考文献：
  名称：

  Building units for N-backbone cyclic peptides. 1. Synthesis of protected N-(.omega.-aminoalkylene)amino acids and their incorporation into dipeptide units

  摘要：

  A variety of new amino acids which contain an omega-aminoalkylene group on the N(alpha)-amino nitrogen were synthesized by alkylation of alkylenediamines with alpha-halogeno acids. The reaction proceeds with inversion of configuration; thus, optically pure products were obtained when optically active a-halogeno acids were used. The N-(omega-aminoalkylene)amino acids were protected by orthogonal protecting groups to allow their incorporation into dipeptides by the "solution" techniques and into peptides by the solid-phase peptide synthesis (SPPS) methodology. A series of dipeptide analogs of Phe-Gly, Leu-Gly, Trp-Gly, Phe-Leu, and Phe-Ala in which the nitrogen of the peptide bond is alkylated by omega-aminoalkylene chains with various lengths were prepared. These new protected N-(omega-aminoalkylene)amino acids and their derived dipeptide units may be used as building blocks for conformationally constrained N-backbone cyclic peptides.

  DOI：

  10.1021/jo00047a022
• 作为产物：
  描述：

  3-甲基-2-氧代-哌嗪 在 盐酸 作用下， 生成 膦酸,[9-氯-3-(2-氯乙氧基)-6-(2-氯乙基)-1,4-二甲基-3,6-二羟基-2,5,7-三氧杂-3,6-二磷杂壬-1-基]-,8-氯-2,5-二(2-氯乙氧基)-1,4-二甲基-2,5-二羟基-3,6-二氧杂-2,5-二磷杂辛-1-基2-氯乙基酯(9CI)
  参考文献：
  名称：

  N-氨基烷基聚甘氨酸。合成，抗菌活性和作为活细胞滴定剂的电化学行为。

  摘要：

  DOI：

  10.1021/jm00299a012

文献信息

• N-Aminoalkylpolyglycine. Synthesis, antibacterial activity, and electrochemical behavior as a titrant of living cells
  作者：Eleonora Santucci、Marcello Marchetti、Franco Alhaique、Claudio Botre、Fulvio M. Riccieri

  DOI：10.1021/jm00299a012

  日期：1970.9
• Building units for N-backbone cyclic peptides. 1. Synthesis of protected N-(.omega.-aminoalkylene)amino acids and their incorporation into dipeptide units
  作者：Gerardo Byk、Chaim Gilon

  DOI：10.1021/jo00047a022

  日期：1992.10

  A variety of new amino acids which contain an omega-aminoalkylene group on the N(alpha)-amino nitrogen were synthesized by alkylation of alkylenediamines with alpha-halogeno acids. The reaction proceeds with inversion of configuration; thus, optically pure products were obtained when optically active a-halogeno acids were used. The N-(omega-aminoalkylene)amino acids were protected by orthogonal protecting groups to allow their incorporation into dipeptides by the "solution" techniques and into peptides by the solid-phase peptide synthesis (SPPS) methodology. A series of dipeptide analogs of Phe-Gly, Leu-Gly, Trp-Gly, Phe-Leu, and Phe-Ala in which the nitrogen of the peptide bond is alkylated by omega-aminoalkylene chains with various lengths were prepared. These new protected N-(omega-aminoalkylene)amino acids and their derived dipeptide units may be used as building blocks for conformationally constrained N-backbone cyclic peptides.