1,2,3-三硝基苯 | 603-13-4

• 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: 1,2,3-三硝基苯
• 英文名称: 1,2,3-trinitrobenzene
• 英文别名: 1,2,3-Trinitro-benzol
• CAS: 603-13-4
• 化学式: C₆H₃N₃O₆
• 分子量: 213.106
• InChiKey: ONOWMDPHGJEBAZ-UHFFFAOYSA-N

物化性质

• 熔点：
  127.5 °C(Solv: ethanol (64-17-5))
• 沸点：
  409.9±25.0 °C(Predicted)
• 密度：
  1.705±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,2,3-三硝基苯 在 吡啶 、 水 、 氢气 、 铜 作用下， 生成 2,6-二硝基苯酚
  参考文献：
  名称：

  Gorvin, John H., Journal of Chemical Research, Miniprint, 1992, # 7, p. 1831 - 1851

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二硝基氯苯 在 18-冠醚-6 、 sodium nitrite 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以24%的产率得到1,2,3-三硝基苯
  参考文献：
  名称：

  Badea, Florin; Stoica, Alice; Ioniţǎ, Petre, Revue Roumaine de Chimie, 1999, vol. 44, # 4, p. 351 - 356

  摘要：

  DOI：

文献信息

• Efficient, One-Pot, BF3·OEt2-Mediated Synthesis of Substituted N-Aryl Lactams
  作者：Devdutt Chaturvedi、Amit Chaturvedi、Nisha Mishra、Virendra Mishra

  DOI：10.1055/s-0032-1317326

  日期：——

  A quick, efficient, one-pot, BF3·OEt2-mediated synthesis of substituted N-aryl lactams in good to excellent yields by reaction of various substituted arenes with a variety of ω-azido alkanoic acid chlorides at room temperature is reported.

  报道了一种快速、高效、一锅法、BF3·OEt2 介导的取代 N-芳基内酰胺合成，通过各种取代的芳烃与各种 ω-叠氮基链烷酰氯在室温下反应，收率良好。
• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• METHODS OF PRODUCING 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE
  申请人：Straessler Nicholas A.

  公开号：US20100317894A1

  公开（公告）日：2010-12-16

  Methods of producing 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), from alkoxy derivatives of phloroglucinol, such as 5-methoxyresorcinol, 3,5-dimethoxyphenol, or 1,3,5-trimethoxybenzene, are disclosed. The alkoxy derivatives may be exposed to and directly nitrated with a reaction mixture comprising a sulfuric acid solution and at least one nitrate salt. The nitrated alkoxy derivative of phloroglucinol may be alkoxylated and, thereafter, aminated to produce the TATB.

  从邻二甲酚的烷氧衍生物（如5-甲氧基邻苯二酚、3,5-二甲氧基苯酚或1,3,5-三甲氧基苯）生产1,3,5-三氨基-2,4,6-三硝基苯（TATB）的方法已被披露。这些烷氧衍生物可以暴露于含硫酸溶液和至少一种硝酸盐的反应混合物中，并直接硝化。邻二甲酚的硝化烷氧衍生物可以进行烷氧基化，然后进行胺化以产生TATB。
• VANCOMYCIN DERIVATIVE, AND PREPARATION METHOD AND APPLICATION THEREOF
  申请人：ACESYS PHARMATECH LTD

  公开号：US20160200768A1

  公开（公告）日：2016-07-14

  The present invention provides a vancomycin derivative, and a preparation method and an application thereof. The vancomycin derivative of the present invention is obtained by introducing a glycerate moiety between a vancomycin derivative and a liposoluble modification group and has reduced liposolubility and improved water solubility, thereby reducing a side effect in the cardiovascular aspect.

  本发明提供了一种万古霉素衍生物及其制备方法和应用。本发明的万古霉素衍生物是通过在万古霉素衍生物和脂溶性修饰基之间引入丙三酸甘油酯基而得到的，具有降低的脂溶性和改善的水溶性，从而减少心血管方面的副作用。
• Process for the preparation of dimethylketene and then of polydimethylketene fro isobutyric anhydride
  申请人：Hub Serge

  公开号：US20060270878A1

  公开（公告）日：2006-11-30

  The present invention relates to a process for the preparation of dimethylketene (DMK) and then of polydimethylketene (PDMK) by polymerization of DMK. More specifically, the DMK is obtained by pyrolysis by isobutyric anhydride (IBAN), the latter decomposing under the effect of heat (pyrolysis) to give isobutyric acid (IBA) and DMK. One mole of pyrolyzed IBAN gives one mole of IBA and one mole of DMK.

  本发明涉及一种通过二甲基酮（DMK）的聚合制备二甲基酮（DMK）然后聚二甲基酮（PDMK）的过程。更具体地说，DMK是通过异丁酸酐（IBAN）的热解得到的，后者在热量作用下（热解）分解为异丁酸（IBA）和DMK。热解的IBAN生成一摩尔的IBA和一摩尔的DMK。