Butyl D-Phenylalaninate hydrochloride | 1809541-04-5

• 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: Butyl D-Phenylalaninate hydrochloride
• 英文别名: butyl (2R)-2-amino-3-phenylpropanoate;hydrochloride
• CAS: 1809541-04-5
• 化学式: C₁₃H₁₉NO₂*ClH
• 分子量: 257.76
• InChiKey: XHOFZUILKVVMBK-UTONKHPSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Butyl D-Phenylalaninate hydrochloride 在 碳酸氢钠 作用下， 以 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 24.17h， 生成 butyl (2R)-2-[[2-[[(2R)-1-butoxy-1-oxo-3-phenylpropan-2-yl]carbamoylamino]phenyl]carbamoylamino]-3-phenylpropanoate
  参考文献：
  名称：

  Enantiomeric recognition of carboxylic anions by a library of neutral receptors derived from α-amino acids and o-phenylenediamine

  摘要：

  A library of eight neutral anion receptors consisting of a-amino acid esters attached to o-phenylenediamine by urea groups was synthesized and analysed in terms of capacity for chiral recognition of carboxylates. The NMR titrations revealed that the association constants of complexes consisting of a chiral guest and a chiral host are two orders of magnitude lower than those of achiral partners. Diverse substituents in the receptor structure modify both the affinities and enantioselectivities. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2014.06.004
• 作为产物：
  描述：

  Boc-Phe-OnBu 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 生成 Butyl D-Phenylalaninate hydrochloride
  参考文献：
  名称：

  Enantiomeric recognition of carboxylic anions by a library of neutral receptors derived from α-amino acids and o-phenylenediamine

  摘要：

  A library of eight neutral anion receptors consisting of a-amino acid esters attached to o-phenylenediamine by urea groups was synthesized and analysed in terms of capacity for chiral recognition of carboxylates. The NMR titrations revealed that the association constants of complexes consisting of a chiral guest and a chiral host are two orders of magnitude lower than those of achiral partners. Diverse substituents in the receptor structure modify both the affinities and enantioselectivities. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2014.06.004