di-tert-butyl (2S,2'S)-1,1'-(2,2'-(3,3'-sulfonylbis(prop-1-yne-3,1-diyl))bis(2,1-phenylene))bis(azanediyl)bis(1-oxo-3-phenylpropane-2,1-diyl)dicarbamate | 1193109-85-1

• 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: di-tert-butyl (2S,2'S)-1,1'-(2,2'-(3,3'-sulfonylbis(prop-1-yne-3,1-diyl))bis(2,1-phenylene))bis(azanediyl)bis(1-oxo-3-phenylpropane-2,1-diyl)dicarbamate
• 英文别名: tert-butyl N-[(2S)-1-[2-[3-[3-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]phenyl]prop-2-ynylsulfonyl]prop-1-ynyl]anilino]-1-oxo-3-phenylpropan-2-yl]carbamate
• CAS: 1193109-85-1
• 化学式: C₄₆H₅₀N₄O₈S
• 分子量: 818.991
• InChiKey: DWXDWXGZVXXVHW-ZAQUEYBZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  59
• 可旋转键数：
  18
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  177
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  di-tert-butyl (2S,2'S)-1,1'-(2,2'-(3,3'-sulfonylbis(prop-1-yne-3,1-diyl))bis(2,1-phenylene))bis(azanediyl)bis(1-oxo-3-phenylpropane-2,1-diyl)dicarbamate 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 1.35h， 以95%的产率得到di-tert-butyl 1,1'-(2,2'-sulfonylbis(methylene)bis(1H-indole-2,1-diyl))bis(1-oxo-3-phenylpropane-2,1-diyl)dicarbamate
  参考文献：
  名称：

  Synthesis of C2-symmetric bis-indolyl sulfones

  摘要：

  A new class of C-2-symmetric bis-indole derivatives with 2,2'-linkage has been synthesized from bis-propargyl sulfones. The method involves treatment of the sulfones with catalytic amount of triethylamine to form the indole derivatives presumably via the intramolecular Michael addition to the intermediate bis-allenic sulfones. Interestingly, the expected Garratt-Braverman pathway was not followed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.08.001
• 作为产物：
  描述：

  di-tert-butyl (2S,2'S)-1,1'-(2,2'-(3,3'-thiobis(prop-1-yne-3,1-diyl))bis(2,1-phenylene))bis(azanediyl)bis(1-oxo-3-phenylpropane-2,1-diyl)dicarbamate 在 碳酸氢钠 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以85%的产率得到di-tert-butyl (2S,2'S)-1,1'-(2,2'-(3,3'-sulfonylbis(prop-1-yne-3,1-diyl))bis(2,1-phenylene))bis(azanediyl)bis(1-oxo-3-phenylpropane-2,1-diyl)dicarbamate
  参考文献：
  名称：

  Synthesis of C2-symmetric bis-indolyl sulfones

  摘要：

  A new class of C-2-symmetric bis-indole derivatives with 2,2'-linkage has been synthesized from bis-propargyl sulfones. The method involves treatment of the sulfones with catalytic amount of triethylamine to form the indole derivatives presumably via the intramolecular Michael addition to the intermediate bis-allenic sulfones. Interestingly, the expected Garratt-Braverman pathway was not followed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.08.001

文献信息

• Synthesis of C2-symmetric bis-indolyl sulfones
  作者：Tapobrata Mitra、Sanket Das、Amit Basak

  DOI：10.1016/j.tetlet.2009.08.001

  日期：2009.10

  A new class of C-2-symmetric bis-indole derivatives with 2,2'-linkage has been synthesized from bis-propargyl sulfones. The method involves treatment of the sulfones with catalytic amount of triethylamine to form the indole derivatives presumably via the intramolecular Michael addition to the intermediate bis-allenic sulfones. Interestingly, the expected Garratt-Braverman pathway was not followed. (C) 2009 Elsevier Ltd. All rights reserved.