diethyl (4S,13S)-9,18-dihydroxy-3,12-diazatricyclo[13.3.1.16,10]icosa-1(18),6(20),7,9,15(19),16-hexaene-4,13-dicarboxylate | 1360903-02-1

• 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: diethyl (4S,13S)-9,18-dihydroxy-3,12-diazatricyclo[13.3.1.16,10]icosa-1(18),6(20),7,9,15(19),16-hexaene-4,13-dicarboxylate
• CAS: 1360903-02-1
• 化学式: C₂₄H₃₀N₂O₆
• 分子量: 442.512
• InChiKey: KIFYQFUXYYVMRN-PMACEKPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  117
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  L-酪氨酸乙酯 在 盐酸 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 48.5h， 生成 (4S,13S)-9,18-dihydroxy-3,12-diazatricyclo[13.3.1.16,10]icosa-1(18),6(20),7,9,15(19),16-hexaene-4,13-dicarboxylic acid 、 diethyl (4S,13S)-9,18-dihydroxy-3,12-diazatricyclo[13.3.1.16,10]icosa-1(18),6(20),7,9,15(19),16-hexaene-4,13-dicarboxylate
  参考文献：
  名称：

  Synthesis of macrocyclic α-amino esters through the chemoselective hydrolysis of benzoxazinephanes

  摘要：

  New meso-macrocyclic a-amino esters were synthesized through the chemoselective hydrolysis of azacyclophanes derived from L.-tyrosine (benzoxazinephanes). The results showed that the alkyl chain of the ester determined the chemoselectivity of the reaction. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.01.064

文献信息

• Synthesis of macrocyclic α-amino esters through the chemoselective hydrolysis of benzoxazinephanes
  作者：Rodolfo Quevedo、Marlon González、Christian Díaz-Oviedo

  DOI：10.1016/j.tetlet.2012.01.064

  日期：2012.3

  New meso-macrocyclic a-amino esters were synthesized through the chemoselective hydrolysis of azacyclophanes derived from L.-tyrosine (benzoxazinephanes). The results showed that the alkyl chain of the ester determined the chemoselectivity of the reaction. (C) 2012 Elsevier Ltd. All rights reserved.