8-[(tert-Butoxycarbonyl)amino]cyclooct-4-ene-1-carboxylic acid | 1179812-38-4

• 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: 8-[(tert-Butoxycarbonyl)amino]cyclooct-4-ene-1-carboxylic acid
• 英文别名: 8-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooct-4-ene-1-carboxylic acid
• CAS: 1179812-38-4
• 化学式: C₁₄H₂₃NO₄
• 分子量: 269.341
• InChiKey: GYKQFUNUXXJHMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-[(tert-Butoxycarbonyl)amino]cyclooct-4-ene-1-carboxylic acid 在 咪唑 、 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 生成 methyl (1S,8R)-8-((tert-butoxycarbonyl)amino)cyclooct-4-ene-1-carboxylate
  参考文献：
  名称：

  Synthesis of a (+)-anatoxin-a analogue for monoclonal antibodies production

  摘要：

  Anatoxin-a analogue was prepared by resolution of aminoacid 1 using chiral (R)-4-phenyl-oxazolidin-2-thione as derivatizing agent. X-ray diffraction of a diastereomer allowed us to determine its absolute configuration. The synthesis could then be completed in few steps followed by introduction of an amide linker bearing a terminal alkyne in order to attach a carrier protein for monoclonal antibodies production. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.05.094
• 作为产物：
  描述：

  1,5-环辛二烯 生成 8-[(tert-Butoxycarbonyl)amino]cyclooct-4-ene-1-carboxylic acid
  参考文献：
  名称：

  Synthesis of a (+)-anatoxin-a analogue for monoclonal antibodies production

  摘要：

  Anatoxin-a analogue was prepared by resolution of aminoacid 1 using chiral (R)-4-phenyl-oxazolidin-2-thione as derivatizing agent. X-ray diffraction of a diastereomer allowed us to determine its absolute configuration. The synthesis could then be completed in few steps followed by introduction of an amide linker bearing a terminal alkyne in order to attach a carrier protein for monoclonal antibodies production. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.05.094

文献信息

• Synthesis of a (+)-anatoxin-a analogue for monoclonal antibodies production
  作者：Mickael Marc、Francis Outurquin、Pierre-Yves Renard、Christophe Créminon、Xavier Franck

  DOI：10.1016/j.tetlet.2009.05.094

  日期：2009.8

  Anatoxin-a analogue was prepared by resolution of aminoacid 1 using chiral (R)-4-phenyl-oxazolidin-2-thione as derivatizing agent. X-ray diffraction of a diastereomer allowed us to determine its absolute configuration. The synthesis could then be completed in few steps followed by introduction of an amide linker bearing a terminal alkyne in order to attach a carrier protein for monoclonal antibodies production. (C) 2009 Elsevier Ltd. All rights reserved.