1-苯基尿唑 | 6942-46-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-苯基尿唑
• 英文名称: 1-phenylurazole
• 英文别名: 1-phenylurazol；1-phenyl-1,2,4-triazolidine-3,5-dione
• CAS: 6942-46-7
• 化学式: C₈H₇N₃O₂
• mdl: MFCD00015889
• 分子量: 177.162
• InChiKey: WFYLHMAYBQLBEM-UHFFFAOYSA-N

物化性质

• 熔点：
  268-270°C

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.4
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 安全说明：
  S22,S24/25
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-苯基尿唑 在 吡啶 、 氯磺酸 、 sodium hydride 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(4-octyl-3,5-dioxo-[1,2,4]triazolidin-1-yl)-benzenesulfonamide
  参考文献：
  名称：

  Human β3 adrenergic receptor agonists containing cyclic ureidobenzenesulfonamides

  摘要：

  Human beta(3) adrenergic receptor agonists containing 5-membered ring ureas were shown to be potent partial agonists with excellent selectivity over beta(1) and beta(2) binding. L-760,087 (4a) and L-764,646 (5a) (beta(3) EC50 = 18 and 14 nM, respectively) stimulate lipolysis in rhesus monkeys (ED50 = 0.2 and 0.1 mg/kg, respectively) with minimal effects on heart rate. Oral absorption in dogs is improved over other urea analogs. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00073-6
• 作为产物：
  描述：

  1-苯基氨基脲 生成 1-苯基尿唑
  参考文献：
  名称：

  Pinner, Chemische Berichte, 1888, vol. 21, p. 1222

  摘要：

  DOI：

文献信息

• Novel developing agents for (photo) thermographic systems
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0681210A1

  公开（公告）日：1995-11-08

  A thermographic element comprising in a non-aqueous binder medium a silver salt oxidising agent in reactive association with a compound comprising a plurality of redox colour releasing moieties such that oxidation of each redox colour releasing moiety causes release from said compound of a thermally diffusible dye. The compounds many of which are new incorporate two or more developer moieties into a single molecule to minimise the diffusibility of the compound. Following oxidation, either directly by the silver salt or by means of a cross-oxidising agent, each oxidised developer moiety releases a thermally diffusible dye. The compounds are of sufficient size and molecular weight to slow or prevent diffusion in imaging systems and yet possess several active developer moieties per molecule which is advantageous over known ballasted dye releasers which comprise bulky molecules with only a single developer moiety.

  一种热成像元素，包括在非水性粘合剂介质中，一种银盐氧化剂与含有多个氧化还原色释放基团的化合物反应地结合，使得每个氧化还原色释放基团的氧化引起所述化合物中的热扩散染料的释放。这些化合物中的许多是新的，将两个或更多的显影剂基团结合到一个分子中，以减少化合物的扩散性。在氧化后，通过银盐直接氧化或通过交叉氧化剂，每个氧化的显影剂基团释放出一个热扩散染料。这些化合物足够大且具有足够的分子量，以在成像系统中减慢或阻止扩散，但每个分子中具有多个活性显影剂基团，这比已知的只包含单个显影剂基团的笨重分子的配重染料释放剂更具优势。
• A reinvestigation of the reactions between diazomethane and 1-phenylurazole
  作者：M. J. Bausch、L.-H. Wang

  DOI：10.1002/poc.610061102

  日期：1993.11

  separate experiments, the monomethylated species 5 and 6 were allowed to react with diazomethane in efforts to develop a sequence of reactions that reasonably accounts for the formation of 2–4. Whereas N- and O-methylated products were obtained when 5 was treated with ethereal diazomethane, the reaction of 6 and diazomethane produced only the N-alkylated product 1-phenyl–2,4-dimethylurazole (in quantitative

  使用醚重氮甲烷作为甲基化剂对1-苯基脲基（1）进行彻底的甲基化，形成三种产物：1-苯基-3,5-二甲氧基-1,2,4-三唑（2），1-苯基-3-甲氧基-4-甲基- Δ 2 -1,2,4- triazolinev5酮（3）和1-苯基-2,4- dimethylurazole（4）。基于分离的2-4的量，这些反应的总收率通常> 90％。当1和重氮甲烷被允许在导致一单甲基化的类似物的形成一种时尚，1-苯基-3-甲氧基- Δ反应2形成了1,2,4-三唑啉-5-酮（5）和1-苯基v2-甲基尿唑（6）。在单独的实验中，允许单甲基化的物种5和6与重氮甲烷反应，以努力开发合理解释2–4形成的一系列反应。而Ñ -和ö甲基化的5时用醚重氮甲烷处理，得到产品，6进行反应和重氮甲烷仅产生的Ñ-烷基化产物1-苯基–2,4-二甲基尿唑（定量收率）。这些实验的结果与一系列反应一致，在这些反应中，首先用重氮甲烷处理1，形
• Azabicyclic compounds, and production thereof
  申请人：Ortho Pharmaceutical Corporation

  公开号：US04057547A1

  公开（公告）日：1977-11-08

  Novel azabicyclic compounds useful for their central nervous system depressant and cardiovascular activity, methods for preparing same, and intermediates.

  新型的氮杂双环化合物具有中枢神经系统抑制和心血管活性，制备方法以及中间体。
• Diazacyclobutene derivatives and methods of synthesis thereof
  申请人：Clemson University

  公开号：US10875869B1

  公开（公告）日：2020-12-29

  Provided is a compound having the formula: wherein: R1 is selected from the group consisting of H, aliphatic of 1 to 100 carbons and arene comprising up to 100 carbons; R2 is selected from the group consisting of H, aliphatic of 1 to 100 carbons and arene comprising up to 100 carbons; each R3 is independently selected from the group consisting of H, aliphatic of 1 to 100 carbons and arene comprising up to 100 carbons; X is selected from the group consisting of B, O, N, S, Se and P; and n is 1-4 as necessary to complete the valence of X formed by the reaction of a compound of Formula III: and a compound of Formula IV:

  提供的是具有以下结构的化合物：其中：R1从H、含有1至100个碳原子的脂肪族和含有最多100个碳原子的芳香族中选择；R2从H、含有1至100个碳原子的脂肪族和含有最多100个碳原子的芳香族中选择；每个R3独立地从H、含有1至100个碳原子的脂肪族和含有最多100个碳原子的芳香族中选择；X从B、O、N、S、Se和P中选择；n为1-4，以完成由Formula III的化合物和Formula IV的化合物反应形成的X的价。
• Monoaminophenazine leuco dyes and photothermographic materials containing same
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0671393A1

  公开（公告）日：1995-09-13

  Photothermographic elements incorporating leuco forms of phenazinium dyes to provide a developed colour image. The dye has a nucleaus of the general formula: in which;    X represents    Y is H or any substituent other than amino or amido,    R¹, R², R⁴ and R¹⁰ are independently selected from H, alkyl, aryl, alkylsulfonyl, arysulfonyl, alkylcarbonyl, arylcarbonyl, or    R¹ and R² together represent the necessary atoms to complete a cyclic structure or one or more of R¹, R² and R⁴ represent the necessary atoms to complete a cyclic structure fused to the nucleus having skeletal atoms selected from C, N, 0 and S, and    R¹¹ represents any group which will not prevent oxidative cleavage of the X-N bond,    with the proviso that when R¹ is C₂H₅    R² is not C₂H₄NHSO₂CH₃.

  光热成像元件采用苯并二氮杂染料的白态形式，以提供发展后的彩色图像。该染料具有一般式的核：其中; X代表; Y为H或任何不是氨基或酰胺基的取代基，R¹，R²，R⁴和R¹⁰独立地选自H，烷基，芳基，烷基磺酰基，芳基磺酰基，烷基羰基，芳基羰基，或R¹和R²一起代表必要的原子以完成环状结构，或者R¹，R²和R⁴中的一个或多个代表必要的原子以完成与骨架原子（选自C，N，0和S）融合的环状结构，R¹¹代表任何不会防止X-N键的氧化裂解的基团，但当R¹为C₂H₅时，R²不为C₂H₄NHSO₂CH₃。