2,6-二硝基苯乙烯 | 195992-08-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,6-二硝基苯乙烯
• 英文名称: 2,6-dinitrostyrene
• 英文别名: 1,3-dinitro-2-vinylbenzene；2-ethenyl-1,3-dinitrobenzene
• CAS: 195992-08-6
• 化学式: C₈H₆N₂O₄
• 分子量: 194.147
• InChiKey: RIVHHQYMGPTLSH-UHFFFAOYSA-N

物化性质

• 沸点：
  324.3±35.0 °C(Predicted)
• 密度：
  1.396±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-二硝基苯乙烯 在 sodium sulfide nonahydrate 作用下， 以 乙醇 、 水 为溶剂， 以24%的产率得到3-nitro-2-vinylaniline
  参考文献：
  名称：

  Glucocorticoid receptor modulators

  摘要：

  化合物的结构式（I）1或其药学上可接受的盐是新型糖皮质激素受体调节剂，可用于治疗哺乳动物的II型糖尿病。

  公开号：

  US20020156311A1
• 作为产物：
  描述：

  2,6-二硝基甲苯 在 氢氧化钾 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2,6-二硝基苯乙烯
  参考文献：
  名称：

  A new method for the synthesis of 2,6-dinitro and 2-halo-6-nitrostyrenes

  摘要：

  A new method for the synthesis of 2-halo-6-nitrostyrenes from 2-halo-6-nitrotoluenes is disclosed. Also described is a one-pot process for the synthesis of 2,6-dinitristyrene from 2,6-dinitrotoluene. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01101-1

文献信息

• Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient
  申请人：——

  公开号：US20040087574A1

  公开（公告）日：2004-05-06

  Disclosed are novel spiro derivatives and their medical uses, especially as adhesion molecule inhibitors useful for therapies of inflammatory diseases. The spiro derivative according to the present invention has the chemical structure, for example, represented by the following Formula (31): 1

  本发明涉及新型螺环衍生物及其医药用途，特别是作为黏附分子抑制剂用于治疗炎症性疾病。根据本发明，所述螺环衍生物具有化学结构，例如由以下公式（31）表示：1。
• SPIRO DERIVATIVES AND ADHESION MOLECULE INHIBITORS COMPRISING THE SAME AS THE ACTIVE INGREDIENT
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1489081A1

  公开（公告）日：2004-12-22

  Disclosed is the use of an adhesion molecule inhibitor that is effective in the prevention and treatment of inflammatory diseases caused by infiltration of leukocytes such as monocytes, lymphocytes and eosinophils, by inhibiting cell infiltration which mediates adhesion molecules, especially adhesion molecule VLA-4. Since the spiro acid derivatives according to the present invention are excellent in the effect of inhibiting cell adhesion via adhesion molecules, especially adhesion molecule VLA-4, they are useful as therapeutic drugs against various inflammatory diseases. For example, provided are the spiro derivative and the adhesion molecule inhibitor which includes as an active ingredient the spiro derivative as shown by the below formula (18).

  本发明公开了一种粘附分子抑制剂，通过抑制介导粘附分子（尤其是粘附分子 VLA-4）的细胞浸润，可有效预防和治疗由单核细胞、淋巴细胞和嗜酸性粒细胞等白细胞浸润引起的炎症性疾病。 由于本发明的螺酸衍生物在抑制细胞通过粘附分子（尤其是粘附分子 VLA-4）的粘附方面具有出色的效果，因此可作为治疗药物用于各种炎症性疾病。例如，本发明提供了螺衍生物和粘附分子抑制剂，其活性成分包括如下式（18）所示的螺衍生物。
• Palladium-Catalyzed Synthesis of Indoles by Reductive <i>N</i>-Heteroannulation of 2-Nitrostyrenes
  作者：Björn C. Söderberg、James A. Shriver

  DOI：10.1021/jo970516+

  日期：1997.8.1

  A palladium-phosphine catalyzed reductive N-heteroannulation of 2-nitrostyrenes, in the presence of carbon monoxide, producing indoles has been developed. Indoles were obtained, in moderate to excellent yield, from substituted 2-nitrostyrenes having either electron-withdrawing (NO2 and CO2Me) or electron-donating (Br, OH, Me, OMe, and OTf) substituents on the aromatic ring. Best results were obtained using palladium diacetate (6 mol %) together with triphenylphosphine (24 mol %) as the catalytic system, under 4 atm of carbon monoxide in acetonitrile at 70 degrees C. Other palladium(II) and palladium(0) complexes also catalyze the reaction.
• SYNTHESIS OF INDOLES BY PALLADIUM-CATALYZED REDUCTIVE N-HETEROANNULATION OF 2-NITROSTYRENES: METHYL INDOLE-4-CARBOXYLATE
  作者：Söderberg, Björn C.、Shriver, James A.、Wallace, Jeffery M.、Warren, J. David、Hegedus, Louis S.

  DOI：10.15227/orgsyn.080.0075

  日期：——
• SPIRO COMPOUNDS AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1329451B1

  公开（公告）日：2006-08-23