3,7-dinitrodibenzothiophene sulfone | 58920-49-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 3,7-dinitrodibenzothiophene sulfone
• 英文别名: 3,7-dinitro-dibenzothiophene-5,5-dioxide；3,7-Dinitro-dibenzothiophen-5,5-dioxid；3,7-dinitrodibenzothiophene S,S-dioxide；3,7-Dinitrodibenzothiophene 5,5-dioxide
• CAS: 58920-49-3
• 化学式: C₁₂H₆N₂O₆S
• mdl: MFCD00496595
• 分子量: 306.255
• InChiKey: YRXRGRLSHSSUNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  134
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,7-dinitrodibenzothiophene sulfone 在 盐酸 、 水 、 三氯化铁 、 铁粉 、 copper(I) bromide 、 sodium nitrite 作用下， 生成 3,7-二溴-5,5-二氧-二苯并噻吩
  参考文献：
  名称：

  Cullinane et al., Journal of the Chemical Society, 1936, p. 1435

  摘要：

  DOI：
• 作为产物：
  描述：

  二苯并噻吩5-氧化物 在 sodium dichromate 、 硫酸 、 硝酸 、 溶剂黄146 作用下， 生成 3,7-dinitrodibenzothiophene sulfone
  参考文献：
  名称：

  Nitro and Amino Derivatives of Dibenzothiophene

  摘要：

  DOI：

  10.1021/ja01125a009

文献信息

• Substituted dibenzothiophenes
  申请人：American Cyanamid Company

  公开号：US04965284A1

  公开（公告）日：1990-10-23

  This disclosure described novel derivatives of dibenzothiophene, dibenzothiophene sulfoxide, dibenzothiophene sulfone, thioxanthene, thioxanthene sulfoxide and thioxanthene sulfone which are active as modulators of the mammalian immune response system.

  这份披露描述了新颖的二苯并噻吩衍生物，二苯并噻吩亚氧化物，二苯并噻吩砜，噻吩并芘，噻吩并芘亚氧化物和噻吩并芘砜，它们作为哺乳动物免疫反应系统的调节剂具有活性。
• Electrophotographic member
  申请人：HITACHI CHEMICAL CO., LTD.

  公开号：EP0475676A1

  公开（公告）日：1992-03-18

  Disclosed is an electrophotographic member containing as a charge transport material a fluorine-containing N,N,N′,N′-tetraarylbenzidine derivative which is remarkably excellent in solubility in an organic solvent and/or a binder such as polycarbonate resin, etc., can show very excellent electrophotographic properties such as high sensitivity, low residual potential and high durability. Further, a fluorine-containing N,N,N′,N′-tetraarylbenzidine derivative usable as a charge transport material, and a process for producing the same are disclosed. Furthermore, a fluorine-containing diarylamine usable for producing the fluorine-containing N,N,N′,N′-tetraarylbenzidine derivative, and a process for producing the same are disclosed.

  本发明公开了一种含有含氟 N，N，N′，N′-四芳基联苯胺衍生物作为电荷传输材料的电致发光构件，该衍生物在有机溶剂和/或聚碳酸酯树脂等粘合剂中的溶解性极佳，可显示出非常优异的电致发光性能，例如高灵敏度、低残留电位和高耐久性。此外，还公开了一种可用作电荷传输材料的含氟 N,N,N′,N′-四芳基联苯胺衍生物及其生产工艺。此外，还公开了一种可用于生产含氟 N,N,N′,N′-四芳基联苯胺衍生物的含氟二芳基胺及其生产工艺。
• Klemm, L. H.; Pou, Sovitj; Detlefsen, W. D., Journal of Heterocyclic Chemistry, 1984, vol. 21, p. 1293 - 1296
  作者：Klemm, L. H.、Pou, Sovitj、Detlefsen, W. D.、Higgins, Clay、Lawrence, Ross F.

  DOI：——

  日期：——
• Optical Spectra of Protected Diamine 10-Bond-Bridged Intervalence Radical Cations Related to <i>N</i>,<i>N</i>,<i>N</i>‘<i>N</i>‘-Tetraalkylbenzidine
  作者：Stephen F. Nelsen、Yun Luo、Michael N. Weaver、Jenny V. Lockard、Jeffrey I. Zink

  DOI：10.1021/jo060466l

  日期：2006.5.1

  The optical absorption spectra of the delocalized intervalence radical cations of seven o,o'-linked benzidine derivatives that have the nitrogens protected as 9-(9-aza-bicyclo[3.3.1]nonan-3-one) derivatives are discussed and compared with that of the p-phenylene radical cation. The linking units are CH2, CH2CH2, NMe, S, SO2, and C=O, and we also studied H, H ( the unlinked benzidine). The lowest-energy absorption band is assigned as the transition from the antibonding combination of symmetrical N and aromatic orbitals to the antibonding combination of the antisymmetric N and aromatic orbitals using TD-DFT calculations, and a good correlation between the observed transition energies and those calculated using the simple Koopmans theorem-based "neutral in-cation geometry" calculations on the UB3LYP/6-31G* structures is found. The use of the two-state model that equates the electronic interaction through the bridge between the amino groups with half of the lowest transition energy is seriously incorrect for these and other delocalized intervalence compounds. The problem of extracting the electronic interactions that actually are involved from calculated transition energies is discussed.
• RELATIVE REACTIVITIES OF ORGANOMETALLIC COMPOUNDS. XVIII. SELECTIVE METALATIONS OF DIBENZOTHIOPHENE
  作者：HENRY GILMAN、A. L. JACOBY、H. A. PACEVITZ

  DOI：10.1021/jo01219a004

  日期：1938.5