Boc-Thia-Leu-OMe | 1285537-74-7

• 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: Boc-Thia-Leu-OMe
• CAS: 1285537-74-7
• 化学式: C₁₈H₂₉N₃O₅S
• 分子量: 399.511
• InChiKey: OOZHCDOLDQXNGF-KBPBESRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  27.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  106.62
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  溴乙烷 、 Boc-Thia-Leu-OMe 以 乙腈 为溶剂， 反应 60.0h， 以33%的产率得到4-((S)-2-((tert-butoxycarbonyl)amino)-3-(((S)-1-methoxy-4-methyl-1-oxopentan-2-yl)amino)-3-oxopropyl)-3-ethylthiazol-3-ium bromide
  参考文献：
  名称：

  Organometallic peptide NHC complexes of Cp∗Rh(III) and arene Ru(II) moieties from l-thiazolylalanine

  摘要：

  The 3-ethyl thiazolium peptide salts Boc-Thia-Leu-OMe and Boc-Thia-Leu-Phe-OMe based on the unnatural amino acid thiazolylalanine (Thia) have been prepared. After deprotonation, they reacted rapidly via the silver carbene transfer reaction with [ RhCp*Cl-2](2) and [Ru(p-cymene)Cl-2](2) to yield the corresponding thiazole-based carbene complexes 7-10 in acceptable yield. All new compounds were characterized by multinuclear NMR spectroscopy, mass spectrometry, and elemental analysis. These complexes constitute the first examples of thiazolylalanine-2-ylidene metal bioconjugates. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.12.044
• 作为产物：
  描述：

  叔丁氧羰基-3-(4-噻唑基)-L-丙氨酸 在 N-甲基吗啉 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 Boc-Thia-Leu-OMe
  参考文献：
  名称：

  Organometallic peptide NHC complexes of Cp∗Rh(III) and arene Ru(II) moieties from l-thiazolylalanine

  摘要：

  The 3-ethyl thiazolium peptide salts Boc-Thia-Leu-OMe and Boc-Thia-Leu-Phe-OMe based on the unnatural amino acid thiazolylalanine (Thia) have been prepared. After deprotonation, they reacted rapidly via the silver carbene transfer reaction with [ RhCp*Cl-2](2) and [Ru(p-cymene)Cl-2](2) to yield the corresponding thiazole-based carbene complexes 7-10 in acceptable yield. All new compounds were characterized by multinuclear NMR spectroscopy, mass spectrometry, and elemental analysis. These complexes constitute the first examples of thiazolylalanine-2-ylidene metal bioconjugates. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.12.044