3,7-二硝基二苯并噻吩 | 59005-75-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 中文名称: 3,7-二硝基二苯并噻吩
• 英文名称: 3,7-dinitro-dibenzothiophene
• 英文别名: 3,7-Dinitro-dibenzothiophen；3,7-Dinitrodibenzothiophene
• CAS: 59005-75-3
• 化学式: C₁₂H₆N₂O₄S
• 分子量: 274.257
• InChiKey: VUDCXYATOCQOOT-UHFFFAOYSA-N

物化性质

• 熔点：
  342-344 °C(Solv: benzene (71-43-2))
• 沸点：
  508.3±30.0 °C(Predicted)
• 密度：
  1.605±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 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：
  120
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,7-二硝基二苯并噻吩 在 sodium hydrogensulfide 、 乙醇 作用下， 生成 7-nitro-dibenzothiophen-3-ylamine
  参考文献：
  名称：

  Mangini; Passerini, Gazzetta Chimica Italiana, 1954, vol. 84, p. 606,614, 617

  摘要：

  DOI：
• 作为产物：
  描述：

  3,7-dinitrodibenzothiophene-5-oxide 在 氢溴酸 、 溶剂黄146 作用下， 生成 3,7-二硝基二苯并噻吩
  参考文献：
  名称：

  Nitro and Amino Derivatives of Dibenzothiophene

  摘要：

  DOI：

  10.1021/ja01125a009

文献信息

• [EN] ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX
  申请人：GILEAD SCIENCES INC

  公开号：WO2010132601A1

  公开（公告）日：2010-11-18

  The invention is related to anti-viral compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  这项发明涉及抗病毒化合物，含有这种化合物的组合物，包括给予这种化合物的治疗方法，以及用于制备这种化合物的过程和中间体。
• Compositions and methods for promoting tissue regeneration
  申请人：——

  公开号：US20020055530A1

  公开（公告）日：2002-05-09

  The present invention relates to compositions and methods for promoting tissue regeneration, preferably neural tissue regeneration. Compositions of the invention include (i) certain diphenyl sulfides, diphenyl sulfoxides, diphenyl sulfones, and sulfide, sulfoxide and sulfones of dibenzothiophene and thioxanthene, as well as various analogues and derivatives of these compounds; (ii) one or more cells harvested from an animal or organism subsequent to the administration of a composition comprising a compound of (i); or (iii) any combination of (i) and (ii). The invention can be useful in treating decreases in neuronal function, for example from injury or disease.

  本发明涉及促进组织再生，最好是神经组织再生的组合物和方法。本发明的组合物包括：(i) 某些二苯基硫化物、二苯基硫氧化物、二苯基砜、二苯并噻吩和硫氧蒽的硫化物、亚砜和砜，以及这些化合物的各种类似物和衍生物；(ii) 施用包含(i)化合物的组合物后从动物或生物体收获的一种或多种细胞；或(iii) (i)和(ii)的任何组合。本发明可用于治疗神经元功能下降，例如因损伤或疾病引起的神经元功能下降。
• Kinetic study of trifluoromethylation with s-(trifluoromethyl) dibenzothiophenium salts
  作者：Taizo Ono、Teruo Umemoto

  DOI：10.1016/s0022-1139(96)03392-1

  日期：1996.10

  The kinetic parameters were determined for C-trifluoromethylation of aniline with S-(trifluoromethyl) dibenzothiophenium triflate (1), its 3,7-dinitro derivative (2) and S-(trifluoromethyl) diphenylsulfonium triflate (3) in DMF-d(7). The higher reactivity of heterocyclic 1 compared with non-heterocyclic 3 could be explained on the basis of its greatly enhanced activation entropy (Delta S-not equal: - 11.2 cal mol(-1) K-1 for 1; -47.1 for 3), but not its enhanced activation enthalpy (Delta H-not equal: 21.2 kcal mol(-1) for 1; 12.1 for 3). The aromatic delocalization of the heterocyclic ring may thus be only slightly disturbed by the S-trifluoromethyl substituent. The high reactivity of 2 was attributed to the great electron deficiency caused by two nitro groups in addition to the heterocyclic salt system (Delta H-not equal 17.0 kcal mol(-1), Delta S-not equal -9.1 cal mol(-1) K-1 for 2), The reaction mechanism is discussed; the conventional S(N)2 attack mechanism was ruled out and a mechanism for a side-on attack to the CF3-S bond may possibly be applicable.
• ANTIVIRAL COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：EP2430014A1

  公开（公告）日：2012-03-21
• Compositions and methods for promoting neural regeneration
  申请人：Neuberger J. Timothy

  公开号：US20080070963A1

  公开（公告）日：2008-03-20

  The present invention relates to compositions and methods for promoting tissue regeneration, preferably neural tissue regeneration. Compositions of the invention include (i) certain diphenyl sulfides, diphenyl sulfoxides, diphenyl sulfones, and sulfide, sulfoxide and sulfones of dibenzothiophene and thioxanthene, as well as various analogues and derivatives of these compounds; (ii) one or more cells harvested from an animal or organism subsequent to the administration of a composition comprising a compound of (i); or (iii) any combination of (i) and (ii). The invention can be useful in treating decreases in neuronal function, for example from injury or disease.