2-[2-(3-{3-[2-(1-benzyloxycarbonyl-ethylcarbamoyl)phenyl]prop-2-yne-1-sulfonyl}prop-1-ynyl)benzoylamino]propionic acid benzyl ester | 1229706-09-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[2-(3-{3-[2-(1-benzyloxycarbonyl-ethylcarbamoyl)phenyl]prop-2-yne-1-sulfonyl}prop-1-ynyl)benzoylamino]propionic acid benzyl ester
• CAS: 1229706-09-5
• 化学式: C₄₀H₃₆N₂O₈S
• 分子量: 704.8
• InChiKey: NWYHBFHCXJCTRN-KYJUHHDHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.23
• 重原子数：
  51.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  144.94
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2-[2-(3-{3-[2-(1-benzyloxycarbonyl-ethylcarbamoyl)phenyl]prop-2-yne-1-sulfonyl}prop-1-ynyl)benzoylamino]propionic acid benzyl ester 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 0.03h， 以98%的产率得到
  参考文献：
  名称：

  Synthesis and RNase A inhibition study of C2-symmetric bis-isochromenyl sulfones

  摘要：

  A new class of C-2-symmetric bis-isochromene derivatives with 3,3'-linkage has been synthesized from bis-propargyl sulfones. The method involves treatment of the sulfones with triethylamine to form the isochromene derivatives presumably via the intramolecular Michael addition to the intermediate bis-allenic sulfones. Interestingly, the product expected from the Garratt-Braverman pathway was not obtained. The bis-isochromene 7d displayed RNase A inhibition activity, much stronger than the isochromene 8 and bis-isocoumarin 9. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.03.075
• 作为产物：
  描述：

  2-[2-(3-{3-[2-(1-benzyloxycarbonyl-ethylcarbamoyl)phenyl]prop-2-ynylsulfanyl}prop-1-ynyl)benzoylamino]propionic acid benzyl ester 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以90%的产率得到2-[2-(3-{3-[2-(1-benzyloxycarbonyl-ethylcarbamoyl)phenyl]prop-2-yne-1-sulfonyl}prop-1-ynyl)benzoylamino]propionic acid benzyl ester
  参考文献：
  名称：

  Synthesis and RNase A inhibition study of C2-symmetric bis-isochromenyl sulfones

  摘要：

  A new class of C-2-symmetric bis-isochromene derivatives with 3,3'-linkage has been synthesized from bis-propargyl sulfones. The method involves treatment of the sulfones with triethylamine to form the isochromene derivatives presumably via the intramolecular Michael addition to the intermediate bis-allenic sulfones. Interestingly, the product expected from the Garratt-Braverman pathway was not obtained. The bis-isochromene 7d displayed RNase A inhibition activity, much stronger than the isochromene 8 and bis-isocoumarin 9. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.03.075