| 1573112-63-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1573112-63-6
• 化学式: C₂HF₃O₂*C₂₁H₂₄N₄O₆
• 分子量: 542.469
• InChiKey: OIUAUZXLQRSAQC-LMOVPXPDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.63
• 重原子数：
  38.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  189.64
• 氢给体数：
  5.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 palladium 10% on activated carbon 、 氢气 、 溶剂黄146 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.5h， 生成 (R)-2-Amino-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  参考文献：
  名称：

  Facile solid phase synthesis of N-cycloguanidinyl-formyl peptides

  摘要：

  A novel strategy of solid phase synthesis of N-cycloguanidinyl-formyl peptides has been established and investigated which involved coupling orthogonal protected diaminoacid with resin bound peptide, alpha-amino group deprotection, guanidinylation of alpha-amino group by bis-Cbz-1H-pyrazole-1-carboxamidine followed by cleavage and cyclization in solution, and finally removing Cbz by palladium catalyzed hydrogenation. Through this method, cycloguanidine could be introduced to either N-terminus or side-chain of designated peptides. The reaction conditions were facile, straightforward, and totally adaptive to common solid phase peptide synthesis strategy. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.100
• 作为产物：
  描述：

  N,N'-双(苄氧羰基)-1H-吡唑-1-甲脒 、 NAlpha-芴甲氧羰基-Nγ-羰-L-2,4-氨基丁酸 、 三氟乙酸 在 N,N-二异丙基乙胺 、 哌啶 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 以95.2%的产率得到
  参考文献：
  名称：

  Facile solid phase synthesis of N-cycloguanidinyl-formyl peptides

  摘要：

  A novel strategy of solid phase synthesis of N-cycloguanidinyl-formyl peptides has been established and investigated which involved coupling orthogonal protected diaminoacid with resin bound peptide, alpha-amino group deprotection, guanidinylation of alpha-amino group by bis-Cbz-1H-pyrazole-1-carboxamidine followed by cleavage and cyclization in solution, and finally removing Cbz by palladium catalyzed hydrogenation. Through this method, cycloguanidine could be introduced to either N-terminus or side-chain of designated peptides. The reaction conditions were facile, straightforward, and totally adaptive to common solid phase peptide synthesis strategy. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.100