trans-1-(2-bromophenyl)-2-(3-bromophenyl)ethene | 155504-10-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: trans-1-(2-bromophenyl)-2-(3-bromophenyl)ethene
• 英文别名: 1-(2-bromophenyl)-2-(3-bromophenyl)ethene；(E)-o,m'-Dibromostilbene；(E)-2,3'-dibromostilbene；1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene
• CAS: 155504-10-2
• 化学式: C₁₄H₁₀Br₂
• 分子量: 338.041
• InChiKey: JLQYSGUXZCLDAR-CMDGGOBGSA-N

物化性质

• 沸点：
  388.7±21.0 °C(predicted)
• 密度：
  1.648±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  trans-1-(2-bromophenyl)-2-(3-bromophenyl)ethene 在 lithium aluminium tetrahydride 、 三氯化铝 、 叔丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正戊烷 为溶剂， 反应 3.0h， 生成 trans-1-<2-(3,5-di-tert-butyl-4-hydroxyphenyl)phenyl>-2-<3-(3,5-di-tert-butyl-4-hydroxyphenyl)phenyl>ethene
  参考文献：
  名称：

  附着的苯基环中，两个苯氧基之间的磁耦合CIS和-反式-stilbenes

  摘要：

  借助其EPR精细结构，研究了两个空间保护的苯氧基通过顺-和反-二苯乙烯生色团之间的磁耦合。由偶极耦合的大小控制的零场分裂参数D取决于几何异构性，而交换耦合的符号则独立于它，并由π共轭体系的拓扑结构决定：o中的铁磁，米-异构体和反铁磁米，米“ -异构体。

  DOI：

  10.1002/poc.610070108
• 作为产物：
  描述：

  (3-bromobenzyl)(triphenyl)phosphonium bromide 在 正丁基锂 、 碘 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 trans-1-(2-bromophenyl)-2-(3-bromophenyl)ethene
  参考文献：
  名称：

  Ferromagnetic Spin Alignment in Head-to-Tail Coupled Oligo(1,4-phenyleneethynylene)s and Oligo(1,4-phenylenevinylene)s Bearing Pendant p-Phenylenediamine Radical Cations

  摘要：

  The intramolecular and long-range ferromagnetic coupling between p-phenylenediamine radical cations in head-to-tail coupled oligo(1,4-phenyleneethynylene)s and oligo(1,4-phenylenvinylene)s between neighbors and next-nearest neighbors is described. UV/vis/near-IR experiments show that the radical cations are localized in the pendant p-phenylenediamine units of the conjugated oligomers. The ESR spectra of these oligo(1,4-phenyleneethynylene) and oligo(1,4-phenylenvinylene) di(radical cation)s are consistent with those of a triplet state. A linear behavior is observed for the doubly integrated ESR intensity of the Delta M-s = +/-1 and Delta M-s = +/-2 signals with the inverse temperature (I similar to 1/T), consistent with Curie's law. This behavior indicates a triplet ground-state diradical with a large triplet-singlet energy gap or possibly a degeneracy of singlet and triplet states.

  DOI：

  10.1021/jo000548o

文献信息

• Sulfuric acid esters of sugar alcohols
  申请人：Hoffmann-La Roche Inc.

  公开号：US05521160A1

  公开（公告）日：1996-05-28

  The present invention is concerned with novel sulfuric acid esters of sugar alcohols and sugar alcohol-like compounds of the formula ##STR1## Also described are methods for the treatment and/or prophylaxis of arteriosclerotic changes in the vascular wall as well as a process for the manufacture of the compounds of formula I and their salts.

  本发明涉及一种新型的糖醇和类糖醇的硫酸酯化合物，化学式如下：##STR1## 还描述了用于治疗和/或预防血管壁动脉粥样硬化变化的方法，以及一种用于制备化合物I及其盐的方法。
• Schwefelsäureester von Zuckeralkoholen zur Behandlung von arteriosklerotischen Gefässwandveränderungen
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0663391A1

  公开（公告）日：1995-07-19

  Die vorliegende Erfindung betrifft neue Schwefelsäureester von Zuckeralkoholen und Zuckeralkohol-ähnlichen Verbindungen der allgemeinen Formel worin A ein um die 1-Hydroxygruppe verminderter Rest eines Zuckeralkohols oder eines Derivats davon, oder der tris-(Hydroxymethyl)methylrest ist, wobei mindestens eine Hydroxygruppe des Restes A mit Schwefelsäure verestert ist; X -NR¹CO-; -NHCONH-; -NHCSNH-; -NHSO₂-, -NR¹- oder -O-; m und p unabhängig voneinander 0 oder 1; R¹ Wasserstoff, nieder-Alkyl oder Hydroxy-nieder-alkyl; und B ein System von konjugierten Mehrfachbindungen ist; und Salze davon. Die Erfindung betrifft weiterhin pharmazeutische Präparate, enthaltend eine Verbindung der allgemeinen Formel I oder ein Salz davon; die Verwendung der Verbindungen der allgemeinen Formel I und deren Salze als Heilmittel, insbesondere zur Behandlung und/oder Prophylaxe von arteriosklerotischen Gefasswandveränderungen, z.B. zur Verhinderung von Restenose nach koronarer oder peripherer Angioplastie oder nach Bypass-Operationen; zur Herstellung von Heilmitteln für die genannten Indikationen; sowie ein Verfahren zur Herstellung der Verbindungen der allgemeinen Formel I und deren Salzen.

  本发明涉及通式如下的糖醇和糖醇类化合物的新硫酸酯 其中 A 是由 1-羟基或三羟甲基甲基还原的糖醇或其衍生物的基团，基团 A 的至少一个羟基被硫酸酯化； X 是-NR¹CO-；-NHCONH-；-NHCSNH-；-NHSO₂-，-NR¹- 或-O-； m 和 p 独立地为 0 或 1； R¹ 是氢、低级烷基或羟基-低级烷基；以及 B 是共轭多键体系； 及其盐类。 本发明进一步涉及含有通式I化合物或其盐的药物制剂；通式I化合物及其盐作为药物的用途，特别是用于治疗和/或预防动脉硬化性血管壁病变，例如用于预防冠状动脉或外周血管成形术后或搭桥手术后的血管再狭窄；用于制备上述适应症的药物；以及通式I化合物及其盐的制备工艺。
• Semiempirical Investigation of Stilbene-Linked Diradicals and Magnetic Study of Their Bis(N-tert-butylnitroxide) Variants
  作者：Naoki Yoshioka、Paul M. Lahti、Takashi Kaneko、Yoshihiro Kuzumaki、Eishun Tsuchida、Hiroyuki Nishide

  DOI：10.1021/jo00094a046

  日期：1994.7

  The electronic states of open-shell stilbene diradicals were st;hied. Previously used semiempirical MO-CI methods were applied to stilbenes having dimethylene, dioxyl, and dinitroxide centers in o,o'-, o,m'-, o,p'-, m,m'-, m,p'-, and p,p'-substitution patterns, and the various singlet-triplet energy gaps were computed to predict qualitative ground state spin multiplicities. Singlet and triplet spin states were essentially degenerate in the m,m'-isomers of disjoint connectivity, while nondisjoint o,m'- and m,p'-isomers had triplet computed ground states. Nitroxide-based diradicals showed considerably smaller computational exchange coupling energies than did other diradical models studied. As a tests of these computations, stilbenes with two N-tert-butyl nitroxide groups at the o,m'-, m,m'-, and m,p'-positions were prepared, and their magnetic properties were studied by ESR and-magnetic susceptibility measurements. The m,m'- and m,p'-isomers were found experimentally to have singlet and triplet ground states, respectively, in accord with the qualitative computed predictions.
• USE OF APPENDED DYES IN OPTICAL DATA STORAGE MEDIA
  申请人：Natarajan Arunkumar

  公开号：US20120052232A1

  公开（公告）日：2012-03-01

  The present disclosure relates to optical media and the formation and use of such media. In certain embodiments the optical media or a composition suitable for such media includes a polymeric matrix or substrate. A dye, such as an energy transfer dye is chemically appended to the polymeric matrix or substrate, such as by one or more covalent bonds.
• US5521160A
  申请人：——

  公开号：US5521160A

  公开（公告）日：1996-05-28