6-硝基-1,2-苯异噁唑 | 39835-08-0

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类硝化物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 中文名称: 6-硝基-1,2-苯异噁唑
• 中文别名: 6-硝基-1,2-苯异恶唑
• 英文名称: 6-nitrobenzisoxazole
• 英文别名: 6-nitro-benzo[d]isoxazole；6-nitro-benz[d]isoxazole；6-Nitro-benz[d]isoxazol；6-Nitrobenzo[D]isoxazole；6-nitro-1,2-benzoxazole
• CAS: 39835-08-0
• 化学式: C₇H₄N₂O₃
• mdl: MFCD06659638
• 分子量: 164.12
• InChiKey: WIYPTBLUSSLGIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  6-硝基-1,2-苯异噁唑 在 sodium hydroxide 作用下， 生成 2-羟基-4-硝基苯腈
  参考文献：
  名称：

  Palazzo; Tornetta, Bollettino delle Sedute della Accademia Gioenia di Scienze Naturali in Catania, 1957, vol. <4> 4, p. 205,213

  摘要：

  DOI：
• 作为产物：
  描述：

  2-羟基-4-硝基苯甲醛 在 sodium azide 、 氯仿 、 硫酸 作用下， 生成 6-硝基-1,2-苯异噁唑 、 6-硝基-2-苯并噁唑胺
  参考文献：
  名称：

  Palazzo; Tornetta, Bollettino delle Sedute della Accademia Gioenia di Scienze Naturali in Catania, 1957, vol. <4> 4, p. 205,213

  摘要：

  DOI：

文献信息

• [EN] PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS<br/>[FR] DERIVES CARBOXAMIDES DE PIPERIDINE/CYCLOHEXANE DESTINES A ETRE UTILISES COMME MODULATEURS DU RECEPTEUR VANILLOIDE
  申请人：GLAXO GROUP LTD

  公开号：WO2005016915A1

  公开（公告）日：2005-02-24

  Certain compounds of formula (I), or a pharmaceutically acceptable salt or solvate thereof, wherein R1, R2, P, P', X, m and n are as defined in the specification, a process for preparing such compounds, a pharmaceutical composition comprising such compounds and the use of such compounds in medicine, as vanilloid receptor modulators.

  某些式（I）化合物，或其药学上可接受的盐或溶剂合物，其中R1、R2、P、P'、X、m和n如说明书中所定义，制备此类化合物的方法，包含此类化合物的药物组合物，以及此类化合物在医学中作为香草素受体调节剂的用途。
• Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators
  申请人：Jamieson Craig

  公开号：US20110059979A1

  公开（公告）日：2011-03-10

  Certain compounds of formula (I), or a pharmaceutically acceptable salt or solvate thereof, wherein R 1 , R 2 , P, P′, X, m and n are as defined in the specification, a process for preparing such compounds, a pharmaceutical composition comprising such compounds and the use of such compounds in medicine.

  特定的化合物式(I)，或其药学上可接受的盐或溶剂化物，其中R1、R2、P、P'、X、m和n的定义在说明书中，制备这种化合物的方法，包含这种化合物的药物组合物以及在医学上使用这种化合物的用途。
• Toward bifunctional antibody catalysis
  作者：K KIKUCHI、R HANNAK、M GUO、A KIRBY、D HILVERT

  DOI：10.1016/j.bmc.2006.05.071

  日期：2006.9.15

  Antibodies that catalyze the deprotonation of unactivated benzisoxazoles to give the corresponding salicylonitriles were prepared using as antigen a 2-aminobenzimidazolium derivative coupled to a carrier protein via its benzene ring. The hapten was designed to induce an antibody binding site with both a base and an acid, in position to initiate proton transfer and stabilize developing negative charge at the phenoxide leaving group, respectively. Consistent with this design, the catalysts exhibit bell-shaped pH-rate profiles, while chemical modification identified several functional groups that could participate in bifunctional catalysis. One of the antibodies, 13G5, is particularly notable in catalyzing the elimination of 6-glutaramidebenzisoxazole with a > 10(5)-fold rate acceleration over background and an effective molarity of > 10(4) M for its catalytic base. These properties compare favorably to the efficiencies achieved by the best previously characterized antibodies with substantially more reactive substrates. (c) 2006 Elsevier Ltd. All rights reserved.
• PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1660481A1

  公开（公告）日：2006-05-31
• Palazzo; Tornetta, Bollettino delle Sedute della Accademia Gioenia di Scienze Naturali in Catania, 1957, vol. <4> 4, p. 205,213
  作者：Palazzo、Tornetta

  DOI：——

  日期：——