methyl 3-{4-[7,7-bis(4-methoxyphenyl)-1,2-dimethyl-7H-thieno[3,2-f]chromen-5-ylamino]phenylthio}-2-[bis(tert-butoxycarbonyl)amino]propanoate | 868773-82-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: methyl 3-{4-[7,7-bis(4-methoxyphenyl)-1,2-dimethyl-7H-thieno[3,2-f]chromen-5-ylamino]phenylthio}-2-[bis(tert-butoxycarbonyl)amino]propanoate
• 英文别名: Methyl 3-[4-[[7,7-bis(4-methoxyphenyl)-1,2-dimethylthieno[3,2-f]chromen-5-yl]amino]phenyl]sulfanyl-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate；methyl 3-[4-[[7,7-bis(4-methoxyphenyl)-1,2-dimethylthieno[3,2-f]chromen-5-yl]amino]phenyl]sulfanyl-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
• CAS: 868773-82-4
• 化学式: C₄₇H₅₂N₂O₉S₂
• 分子量: 853.07
• InChiKey: MWFNEWIYSAFZRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  60
• 可旋转键数：
  16
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  175
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  methyl 3-{4-[7,7-bis(4-methoxyphenyl)-1,2-dimethyl-7H-thieno[3,2-f]chromen-5-ylamino]phenylthio}-2-[bis(tert-butoxycarbonyl)amino]propanoate 以 甲苯 为溶剂， 生成 、
  参考文献：
  名称：

  A Thieno-2H-chromene α-Amino Acid Derivative:  Synthesis and Photochromic Properties

  摘要：

  [GRAPHICS]A new photochromic thieno-2H-chromene a-amino acid derivative was prepared by C-N palladium-catalyzed cross-coupling of a bromothieno-2H-chromene with the aminated aromatic side chain of the methyl ester of a N,N-diprotected amino acid. Its good photochromic properties demonstrated by flash photolysis and continuous irradiation indicate a possible application in ophthalmic lenses. It may also be inserted into peptides to give photoinduced reversible structural changes.

  DOI：

  10.1021/ol051378a
• 作为产物：
  描述：

  6-bromo-5-hydroxy-2,3-dimethylbenzo[b]thiophene 在 palladium diacetate 、 acidic alumina Brockmann I 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 甲苯 为溶剂， 反应 3.25h， 生成 methyl 3-{4-[7,7-bis(4-methoxyphenyl)-1,2-dimethyl-7H-thieno[3,2-f]chromen-5-ylamino]phenylthio}-2-[bis(tert-butoxycarbonyl)amino]propanoate
  参考文献：
  名称：

  A Thieno-2H-chromene α-Amino Acid Derivative:  Synthesis and Photochromic Properties

  摘要：

  [GRAPHICS]A new photochromic thieno-2H-chromene a-amino acid derivative was prepared by C-N palladium-catalyzed cross-coupling of a bromothieno-2H-chromene with the aminated aromatic side chain of the methyl ester of a N,N-diprotected amino acid. Its good photochromic properties demonstrated by flash photolysis and continuous irradiation indicate a possible application in ophthalmic lenses. It may also be inserted into peptides to give photoinduced reversible structural changes.

  DOI：

  10.1021/ol051378a

文献信息

• A Thieno-2<i>H</i>-chromene α-Amino Acid Derivative:  Synthesis and Photochromic Properties
  作者：Maria-João R. P. Queiroz、Ana S. Abreu、Paula M. T. Ferreira、M. Manuel Oliveira、Roger Dubest、Jean Aubard、André Samat

  DOI：10.1021/ol051378a

  日期：2005.10.1

  [GRAPHICS]A new photochromic thieno-2H-chromene a-amino acid derivative was prepared by C-N palladium-catalyzed cross-coupling of a bromothieno-2H-chromene with the aminated aromatic side chain of the methyl ester of a N,N-diprotected amino acid. Its good photochromic properties demonstrated by flash photolysis and continuous irradiation indicate a possible application in ophthalmic lenses. It may also be inserted into peptides to give photoinduced reversible structural changes.