硝基苯过氧羧酸酯 | 32368-69-7

• 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: 硝基苯过氧羧酸酯
• 英文名称: benzoyl peroxynitrate
• 英文别名: peroxybenzoyl nitrate；Perbenzoesaeure；nitro benzenecarboperoxoate
• CAS: 32368-69-7
• 化学式: C₇H₅NO₅
• 分子量: 183.12
• InChiKey: ONDCXZPWEKXYJE-UHFFFAOYSA-N

物化性质

• 沸点：
  278.7±23.0 °C(Predicted)
• 密度：
  1.409±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  硝基苯过氧羧酸酯 以 various solvent(s) 为溶剂， 生成 苯甲酰基过氧自由基 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Zabel, F., Zeitschrift fur Physikalische Chemie, 1995, vol. 188, # 1, p. 119 - 142

  摘要：

  DOI：
• 作为产物：
  描述：

  过氧化氢苯甲酰 在 nitronium tetrafluoborate 作用下， 以 正戊烷 为溶剂， 生成 硝基苯过氧羧酸酯
  参考文献：
  名称：

  Generation of peroxy radicals from peroxynitrates (ROONO2). Decomposition of peroxybenzoyl nitrate (PBZN)

  摘要：

  DOI：

  10.1021/ja00365a040

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE PROTÉINE KINASE
  申请人：DAIICHI SANKYO CO LTD

  公开号：WO2012160464A1

  公开（公告）日：2012-11-29

  The present invention provides a heterocyclic compound of formula (I), a pharmaceutically acceptable salt thereof, a prodrug thereof or a hydrate thereof, wherein A, A' B, D, R1, R2 and R3 are as defined herein, a pharmaceutical composition comprising a compound of formula (I) as an active ingredient, methods of production, and methods of use thereof. Particularly, the present invention provides a compound of formula (I) useful for treating or preventing a disease, condition or disorder associated with protein kinases, preferably Janus Kinase family.

  本发明提供了一种异环化合物的化学式(I)，其药学上可接受的盐，其前药或水合物，其中A，A'，B，D，R1，R2和R3如本文所定义，包括一种化合物的药物组合物的化学式(I)作为活性成分，生产方法和使用方法。特别是，本发明提供了一种化合物的化学式(I)，用于治疗或预防与蛋白激酶相关的疾病，症状或紊乱，优选为Janus激酶家族。
• Novel acyl-dipeptide-like compounds, a method for preparing the same and pharmaceutical compositions containing such products
  申请人：Bauer Jacques

  公开号：US20060148678A1

  公开（公告）日：2006-07-06

  The invention relates to the field of chemistry and more specifically to the field of medicinal chemistry. The invention is directed to N-acyl-dipeptide-like compounds having the general formula I wherein substituents A, B, X, Y, R 1 , R 2 , and subscripts n, m, p and q have the same meanings as those given in the claims. The invention is equally directed to pharmaceutical compositions containing as an active ingredient at least one compound of general formula I either in acid or salt form with an organic or mineral base. The compounds persuant to the invention display interesting pharmacological properties which make them useful as drugs.

  这项发明涉及化学领域，更具体地涉及药物化学领域。该发明涉及具有通式I的N-酰基二肽类化合物，其中取代基A、B、X、Y、R1、R2以及下标n、m、p和q的含义与索赔中给出的相同。该发明还涉及含有作为活性成分的至少一种通式I化合物的药物组合物，其以有机或矿物质碱的酸或盐形式存在。根据该发明的化合物展示出有趣的药理特性，使它们可用作药物。
• Atmospheric chemistry of benzaldehyde: UV absorption spectrum and reaction kinetics and mechanisms of the C6H5C(O)O2 radical
  作者：Françoise Caralp、Virginie Foucher、Robert Lesclaux、Timothy J. Wallington、Michael D. Hurley

  DOI：10.1039/a903088c

  日期：——

  Flash photolysis–UV absorption and long pathlength FTIR–smog chamber studies of several reactions involving C6H5C(O) and C6H5C(O)O2 radicals have been performed. It was determined that reaction of Cl atoms with C6H5CHO proceeds via abstraction of the aldehydic hydrogen to give benzoyl radicals. The sole atmospheric fate of benzoyl radicals is addition of O2 to give peroxybenzoyl radicals. Reaction of C6H5C(O) radicals with molecular chlorine proceeds with a rate constant of (5.9±0.4)×10-11 cm3 molecule-1 s-1 at 296 K and 1–700 Torr total pressure. The UV spectrum of C6H5C(O)O2 radicals (245–300 nm) and the self reaction were investigated simultaneously, yielding σmax=(2.0±0.1)×10-17 cm2 molecule-1 at 245 nm and k16=(3.1±1.4)×10-13 exp[(1110±160) K/T] cm3 molecule-1 s-1, measured from 298 to 460 K. At 338 K, C6H5C(O)O2 radicals react with NO with a rate constant of (1.6±0.4)×10-11 cm3 molecule-1 s-1. At 296 K, C6H5C(O)O2 radicals react with NO2 with a rate constant of (1.1±0.3)×10-11 cm3 molecule-1 s-1 to form C6H5C(O)O2NO2, which undergoes thermal decomposition at a rate of k-4=(2.1-1.5+5.0)×1016 exp[-(13600±400)K/T] s-1 in one atmosphere of air. At 296 K in 100–700 Torr of air k[C6H5C(O)O2+NO]/k[C6H5C(O)2+NO2]=1.44±0.15. Relative rate methods were used to measure k[Cl+C6H5C(O)Cl]=(1.1±0.2)×10-15 cm3 molecule-1 s-1 at 296 K. Uncertainty limits are all two standard deviations. Results are discussed with respect to the literature data and the atmospheric chemistry of benzaldehyde.

  进行了涉及C6H5C(O)和C6H5C(O)O2自由基的几种反应的闪光光解-紫外吸收和长光程FTIR-烟雾室研究。研究结果表明，Cl原子与C6H5CHO的反应是通过抽取醛基氢原子来生成苯酰自由基。苯酰自由基在大气中的唯一命运是与O2加成生成过氧苯酰自由基。C6H5C(O)自由基与分子氯的反应速率常数在296 K和1–700 Torr总压力下为(5.9±0.4)×10^-11 cm³分子^-1 s^-1。对C6H5C(O)O2自由基的紫外光谱（245–300 nm）及其自反应进行了同步研究，得到σmax=(2.0±0.1)×10^-17 cm²分子^-1（在245 nm处）和k16=(3.1±1.4)×10^-13 exp[(1110±160) K/T] cm³分子^-1 s^-1，测量范围为298到460 K。在338 K时，C6H5C(O)O2自由基与NO的反应速率常数为(1.6±0.4)×10^-11 cm³分子^-1 s^-1。在296 K时，C6H5C(O)O2自由基与NO2的反应速率常数为(1.1±0.3)×10^-11 cm³分子^-1 s^-1，生成C6H5C(O)O2 ，该物质在1个大气压的空气中发生热分解，速率为k-4=(2.1-1.5+5.0)×10^16 exp[-(13600±400)K/T] s^-1。在296 K的100–700 Torr空气中，k[C6H5C(O)O2+NO]/k[C6H5C(O)2+ ]=1.44±0.15。采用相对速率法测得k[Cl+C6H5C(O)Cl]=(1.1±0.2)×10^-15 cm³分子^-1 s^-1，测量温度为296 K。所有不确定性限都为两个标准差。结果与文献数据及苯甲醛的大气化学进行了讨论。
• SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20180022757A1

  公开（公告）日：2018-01-25

  Methods of making compounds of Formula I are disclosed:

  公开了制备式I化合物的方法。
• Preparation of noroxymorphone from morphine
  申请人：Mallinckrodt, Inc. (a Delaware corporation)

  公开号：EP0158476A1

  公开（公告）日：1985-10-16

  3-O,N-(diethoxycarbonyl) normorphine, which may be prepared by reaction of morphine with ethyl chloroformate, is converted to 3-0,n-(diethoxycarbonyl) normorphinone, a novel compound, by oxidation. The novel normorphinone derivative is converted to 3-0,N-(diethoxycarbonyl) normorphinone dienol acetate, a second novel compound, by esterification with acetic anhydride or acetyl halide. A 14-hydroxy group is introduced into the novel dienol ester by oxidation with peroxy-acid. The resultant 3-0,N-(die- thoxycarbonyl)-14-hydroxy-normorphinone, a third novel compound, may be catalytically hydrogenated to produce 3-O,N-(diethoxycarbonyl)noroxymorphone. The latter intermediate may be converted to noroxymorphone by hydrolysis.

  3-O,N-(二乙氧基羰基)诺吗啡可通过吗啡与氯甲酸乙酯反应制备，通过氧化转化为 3-0,N-(二乙氧基羰基)诺吗啡酮，一种新型化合物。新型诺吗啡酮衍生物通过与乙酸酐或乙酰卤进行酯化反应，转化为 3-0,N-（二氧羰基）诺吗啡酮二烯醇乙酸酯，这是第二种新型化合物。 通过过氧酸的氧化作用，在新型二烯醇酯中引入 14-羟基。由此得到的 3-0,N-（二乙氧基羰基）-14-羟基-去甲吗啡酮是第三种新型化合物，可通过催化氢化生成 3-O,N-（二乙氧基羰基）去甲吗啡酮。后一种中间体可通过水解作用转化为去甲羟吗啡酮。