3,4-bis(2,5-dimethyl-3-thienyl)-1-{1',3',3'-trimethyl-1',3'-dihydrospiro(benzo[f]chromene-3,2'-[1]benzothieno[3,2-b]pyrrol)-7'-yl}-1H-pyrrol-2,5-dione | 1204390-56-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 3,4-bis(2,5-dimethyl-3-thienyl)-1-{1',3',3'-trimethyl-1',3'-dihydrospiro(benzo[f]chromene-3,2'-[1]benzothieno[3,2-b]pyrrol)-7'-yl}-1H-pyrrol-2,5-dione
• 英文别名: 3,4-Bis(2,5-dimethylthiophen-3-yl)-1-(1,3,3-trimethylspiro[[1]benzothiolo[3,2-b]pyrrole-2,3'-benzo[f]chromene]-7-yl)pyrrole-2,5-dione；3,4-bis(2,5-dimethylthiophen-3-yl)-1-(1,3,3-trimethylspiro[[1]benzothiolo[3,2-b]pyrrole-2,3'-benzo[f]chromene]-7-yl)pyrrole-2,5-dione
• CAS: 1204390-56-6
• 化学式: C₄₁H₃₄N₂O₃S₃
• 分子量: 698.931
• InChiKey: DZDFARIBTYLQDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  49
• 可旋转键数：
  3
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  135
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  7-amino-1,3,3-trimethylspiro[2,3-dihydro-1H-[1]benzothieno[3,2-b]pyrrole-2,3'-3H-benzo[f]chromene] 、 3,4-bis(2,5-dimethyl-3-thienyl)furan-2,5-dione 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 2.25h， 以57%的产率得到3,4-bis(2,5-dimethyl-3-thienyl)-1-{1',3',3'-trimethyl-1',3'-dihydrospiro(benzo[f]chromene-3,2'-[1]benzothieno[3,2-b]pyrrol)-7'-yl}-1H-pyrrol-2,5-dione
  参考文献：
  名称：

  7-Nitro- and 7-aminosubstituted spiropyrans of 1-benzothieno[3,2-b]pyrrole

  摘要：

  Amino and nitro derivatives of spiropyrans based on 1-benzothieno[3,2-b]pyrrole were synthesized employing an efficient method for the reduction of nitro group in thienopyrroles and spiropyrans Novel. bi-functional compounds, containing salicylideneaniline and dithienylethene fragments, along with spiropyran were prepared from the aminospiropyran derivative. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2009.06.007

文献信息

• 7-Nitro- and 7-aminosubstituted spiropyrans of 1-benzothieno[3,2-b]pyrrole
  作者：Valerii Z. Shirinian、Alexey A. Shimkin、Arthur K. Mailian、Dmitry V. Tsyganov、Leonid D. Popov、Mikhail M. Krayushkin

  DOI：10.1016/j.dyepig.2009.06.007

  日期：2010.1

  Amino and nitro derivatives of spiropyrans based on 1-benzothieno[3,2-b]pyrrole were synthesized employing an efficient method for the reduction of nitro group in thienopyrroles and spiropyrans Novel. bi-functional compounds, containing salicylideneaniline and dithienylethene fragments, along with spiropyran were prepared from the aminospiropyran derivative. (C) 2009 Elsevier Ltd. All rights reserved.