benzoazetine | 7095-75-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: benzoazetine
• 英文别名: 7-Azabicyclo[4.2.0]octa-1,3,5-triene
• CAS: 7095-75-2
• 化学式: C₇H₇N
• mdl: MFCD19217589
• 分子量: 105.139
• InChiKey: VGIGQBSFRFJJJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  benzoazetine 899.9~999.9 ℃ 、0.0 Pa 条件下， 生成 6-Methylene-2,4-cyclohexadien-1-imine
  参考文献：
  名称：

  热异构化苯并氮杂环丁烷-6-亚甲基-2,4-环己二烯-1-亚胺：光电子研究

  摘要：

  在923至1273 K的温度下进行1,2,3,4-四氢喹啉3，邻氨基苄醇4和邻氨基苄胺5的快速真空热解，并通过光电子能谱进行监测。尽管在923-1073 K处进行热解导致生成了迄今未描述的苯并氮杂丁2a，但在1173-1273 K处获得了6-亚甲基-2,4-环己二烯-1-亚胺1a。

  DOI：

  10.1016/0040-4039(92)89023-6
• 作为产物：
  描述：

  2-aminobenzaldehyde tosylhydrazone 在 甲基锂 作用下， 以 gaseous matrix 为溶剂， 反应 0.5h， 生成 benzoazetine
  参考文献：
  名称：

  Intramolecular Hydrogen Transfer in (2-Aminophenyl)carbene and 2-Tolylnitrene. Matrix Isolation of 6-Methylene-2,4-cyclohexadien-1-imine

  摘要：

  Flash vacuum pyrolysis (FVP) or matrix photolysis of 2-(diazomethyl)phenylamine, 1-azido-2-methylbenzene (2-tolyl azide), o-aminobenzyl alcohol, or 2-indolinone provide entries into the C7H7N hypersurface. The matrix-isolated (argon, 10 K products have been characterized by IR and UV-vis spectroscopy in combination with high level (MP2/6-31G(d) and HF/6-31G(d,p)) ab-initio calculations. FVP (500-800 degrees C) of the first three of these precursors produces high yields of E/Z-mixture s of 6-methylene-2,4-cyclohexadien-1-imine (o-iminoquinone methide), while the bicyclic isomer benzoazetine is not formed under these conditions. FVP of 2-tolyl azide at very high temperatures (> 900 degrees C) leads to the formation of benzaldimine and benzonitrile, Photolysis of the matrix-isolated precursors allows one to selectively generate the E- and Z-isomer of the iminoquinone methide as well as benzoazetine. In addition, 2-tolylnitrene and 1-aza-3-methyl-1,2,4,6-cycloheptatetraene are produced as intermediates in the photolysis of 2-tolyl azide. The nitrene is thermally stable up to 80 K (in xenon matrix), although the hydrogen migration to give (E)-o-iminoquinone methide is calculated to be exothermic by 42 kcal/mol. Irradiation of 2-(diazomethyl)phenylamine directly yields the quinone methide while io-aminophenyl)carbene, which is the most reasonable intermediate, is not observed.

  DOI：

  10.1021/jo00125a024

文献信息

• UV Photoelectron Spectroscopy Studies of the Products of Thermal Extrusion of Sulfur Dioxide from Benzosultams
  作者：Anna Chrostowska、Françoise Gracian、Jean-Marc Sotiropoulos、Geneviève Pfister-Guillouzo、Krzysztof Wojciechowski

  DOI：10.1002/(sici)1099-0690(200001)2000:2<313::aid-ejoc313>3.0.co;2-i

  日期：2000.1

  An aza-ortho-xylylene system is produced by thermal degradation of N-alkylbenzosultam, which can be directly studied by coupling the system to a UV/photoelectron spectrometer. These thermodynamically unstable xylylene derivatives rearrange to give aldimine by a [1,5] hydrogen shift.

  氮杂邻二甲苯系统是由 N-烷基苯并磺胺热降解产生的，可以通过将该系统耦合到紫外/光电子光谱仪来直接研究。这些热力学不稳定的二甲苯衍生物通过 [1,5] 氢位移重排生成醛亚胺。
• TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS
  申请人：WILSON Matthew A.

  公开号：US20080027090A1

  公开（公告）日：2008-01-31

  The present invention is directed to compounds of Formula I: that are potassium channel modulators and pharmaceutical compositions thereof. The present invention is further directed to methods of treatment using the compounds and pharmaceutical compositions of the invention. The present invention is still further directed to synthetic processes for producing the compounds of the invention.

  本发明涉及以下的化合物：Formula I，它们是钾通道调节剂及其药物组合物。本发明还涉及使用这些化合物和药物组合物进行治疗的方法。本发明还涉及用于生产本发明化合物的合成过程。
• Compounds and methods for amino-alkylenediol synthesis
  申请人：Cain Robert O.

  公开号：US20080154063A1

  公开（公告）日：2008-06-26

  A method of making an amino-alkylenediol and intermediate compounds useful in the method is disclosed. The method includes preparing a first intermediate compound comprising an aminoalkylene diol wherein a protecting group is linked to the amino functionality, and optionally, preparing a second intermediate compound comprising a salt of the first intermediate compound. The first intermediate compound has the structure wherein R is a divalent alkylene radical having from 2 to 20 carbon atoms, X and Y are independently a divalent linking moiety or a single bond, and Z is a protecting group. The second intermediate compound has the structure wherein R is a divalent alkylene radical having from 2 to 20 carbon atoms, X and Y are independently a divalent linking moiety or a single bond, TsO − is toluene sulfonate, and Z is a protecting group.

  公开了一种制备氨基烷基二醇和用于该方法的中间化合物的方法。该方法包括制备第一中间化合物，其包括一种氨基烷基二醇，其中保护基连接到氨基官能团，并且可选择地制备第二中间化合物，其包括第一中间化合物的盐。第一中间化合物的结构为R为具有2至20个碳原子的二价烷基基团，X和Y分别为二价连接基或单键，Z为保护基。第二中间化合物的结构为R为具有2至20个碳原子的二价烷基基团，X和Y分别为二价连接基或单键，TsO-为甲苯磺酸盐，Z为保护基。
• Novel piperidine derivative
  申请人：Ohtake Norikazu

  公开号：US20070105901A1

  公开（公告）日：2007-05-10

  Provided are a histamine-H3 receptor antagonist; and a preventive and/or a remedy for metabolic system diseases such as obesity, diabetes, hormone secretion disorder, hyperlipemia, gout, fatty liver, circulatory system diseases, for example, stenocardia, acute/congestive cardiac insufficiency, cardiac infarction, coronary arteriosclerosis, hypertension, nephropathy, sleep disorder and various diseases accompanied by sleep disorder such as idiopathic hypersomnia, repetitive hypersomnia, true hypersomnia, narcolepsy, sleep periodic acromotion disorder, sleep apnea syndrome, circadian rhythm disorder, chronic fatigue syndrome, REM sleep disorder, senile insomnia, night worker sleep insanitation, idiopathic insomnia, repetitive insomnia, true insomnia, electrolyte metabolism disorder, and central and peripheral nervous system diseases such as bulimia, emotional disorder, melancholia, anxiety, epilepsy, delirium, dementia, shinzophrenia, attention deficit/hyperactivity disorder, memory disorder, Alzheimer's disease, Parkinson's disease, sleep disorder, recognition disorder, motion disorder, paresthesia, dysosmia, epilepsy, morphine resistance, narcotic dependency, alcoholic dependency. The histamine-H3 receptor antagonist comprises a piperidine derivative compound of formula (I) [wherein X 1 and X 2 independently represent a nitrogen atom or CH; Y represents a specific group; X 3 represents O s —(CH 2 ) m ; R 1 and R 2 independently represent a hydrogen atom, a halogen atom, a linear or branched lower alkyl group, a lower alkoxy group, or an acetyl group substituted with 2 or 3 fluorine atoms; s is 0 or 1; and m is an integer to make (m+s) 0 or from 1 to 4], or its pharmaceutically-acceptable salt.

  本发明提供了一种组胺H3受体拮抗剂；以及预防和/或治疗代谢系统疾病，例如肥胖症、糖尿病、激素分泌障碍、高脂血症、痛风、脂肪肝、循环系统疾病，例如心绞痛、急性/充血性心力衰竭、心肌梗塞、冠状动脉硬化、高血压、肾病、睡眠障碍以及伴随着睡眠障碍的各种疾病，例如特发性嗜睡症、反复性嗜睡症、真性嗜睡症、嗜睡症、睡眠周期性运动障碍、睡眠呼吸暂停综合征、昼夜节律障碍、慢性疲劳综合征、REM睡眠障碍、老年失眠、夜班工人睡眠不卫生、特发性失眠、反复性失眠、真性失眠、电解质代谢障碍，以及中枢和外周神经系统疾病，例如贪食症、情绪障碍、忧郁症、焦虑症、癫痫、谵妄、痴呆、精神分裂症、注意力缺陷/多动障碍、记忆障碍、阿尔茨海默病、帕金森病、睡眠障碍、认知障碍、运动障碍、感觉异常、嗅觉障碍、癫痫、吗啡耐受、麻醉剂依赖、酒精依赖等的预防和/或治疗剂。该组胺H3受体拮抗剂包括式（I）的哌啶衍生物化合物[其中X1和X2独立地表示氮原子或CH；Y表示特定基团；X3表示Os—（CH2）m；R1和R2独立地表示氢原子、卤素原子、线性或支链低碳基、低碳氧基或2或3个氟原子取代的乙酰基；s为0或1；m是一个使（m+s）为0或1至4的整数]或其药学上可接受的盐。
• Enzymatic encoding methods for efficient synthesis of large libraries
  申请人：Nuevolution A/S

  公开号：EP2341140A1

  公开（公告）日：2011-07-06

  Disclosed is a method for obtaining a bifunctional complex comprising a molecule linked to a single stranded identifier oligonucleotide, wherein a nascent bifunctional complex comprising a chemical reaction site and a priming site for enzymatic addition of a tag is a) reacted at the chemical reaction site with one or more reactants, and b) reacted enzymatically at the priming site with one or more tag(s) identifying the reactant(s).

  本发明公开了一种获得双功能复合物的方法，该复合物由与单链标识寡核苷酸相连的分子组成，其中包含化学反应位点和用于酶加标记的引物位点的新生双功能复合物 a) 在化学反应位点与一种或多种反应物反应，b) 在引物位点与一种或多种标识反应物的标记进行酶反应。