1,4-phenylenedi(acetyl-L-leucine methyl ester) | 668479-38-7

• 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: 1,4-phenylenedi(acetyl-L-leucine methyl ester)
• 英文别名: methyl (2S)-2-[[2-[4-[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]phenyl]acetyl]amino]-4-methylpentanoate
• CAS: 668479-38-7
• 化学式: C₂₄H₃₆N₂O₆
• 分子量: 448.56
• InChiKey: NQKCBDBEYWHNSY-PMACEKPBSA-N

物化性质

• 熔点：
  147-148.5 °C
• 沸点：
  624.1±55.0 °C(Predicted)
• 密度：
  1.103±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  32
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,4-phenylenedi(acetyl-L-leucine methyl ester) 在 lithium hydroxide 作用下， 以 乙二醇二甲醚 为溶剂， 反应 2.0h， 以74%的产率得到1,4-phenylenedi(acetyl-L-leucine)
  参考文献：
  名称：

  Syntheses and Different Chemical Behaviour of Precursors of Putative Dibasic Inhibitors of Human Mast Cell Tryptase

  摘要：

  Choosing the best conditions and pathways for the synthesis of peptidic compounds remains a challenge for the peptide chemist. Our efforts towards the syntheses of two precursors of potential tryptase inhibitors, building block A and B, led to the development of two different synthesis routes. Each of them is successful in the synthesis of only one of the two, structurally nearly identical target compounds.

  DOI：

  10.1007/s00706-003-0029-x
• 作为产物：
  描述：

  1,4-苯二乙腈 在 盐酸 、 溶剂黄146 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 1,4-phenylenedi(acetyl-L-leucine methyl ester)
  参考文献：
  名称：

  Syntheses and Different Chemical Behaviour of Precursors of Putative Dibasic Inhibitors of Human Mast Cell Tryptase

  摘要：

  Choosing the best conditions and pathways for the synthesis of peptidic compounds remains a challenge for the peptide chemist. Our efforts towards the syntheses of two precursors of potential tryptase inhibitors, building block A and B, led to the development of two different synthesis routes. Each of them is successful in the synthesis of only one of the two, structurally nearly identical target compounds.

  DOI：

  10.1007/s00706-003-0029-x

文献信息

• Syntheses and Different Chemical Behaviour of Precursors of Putative Dibasic Inhibitors of Human Mast Cell Tryptase
  作者：Gregor Radau

  DOI：10.1007/s00706-003-0029-x

  日期：2003.8.1

  Choosing the best conditions and pathways for the synthesis of peptidic compounds remains a challenge for the peptide chemist. Our efforts towards the syntheses of two precursors of potential tryptase inhibitors, building block A and B, led to the development of two different synthesis routes. Each of them is successful in the synthesis of only one of the two, structurally nearly identical target compounds.