(3-溴-1-苯基丙-1-烯-2-基)苯 | 70671-91-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: (3-溴-1-苯基丙-1-烯-2-基)苯
• 英文名称: 1,2-Diphenyl-3-brom-propen-(1)
• 英文别名: 3-Bromo-1,2-diphenyl-1-propene；(3-bromo-1-phenylprop-1-en-2-yl)benzene
• CAS: 70671-91-9
• 化学式: C₁₅H₁₃Br
• 分子量: 273.172
• InChiKey: NQASUPISSHTQHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (3-溴-1-苯基丙-1-烯-2-基)苯 以 乙醇 为溶剂， 生成 N'-benzylidene-N-(2,3-diphenylallyl)-4-methylbenzenesulfonohydrazide
  参考文献：
  名称：

  具有烯烃基团的甲苯磺酰肼衍生物的反应

  摘要：

  当 α,β-不饱和酮甲苯磺酰腙 (5) 在 85% 乙酸水溶液中加热时, 诱导顺利分解, 并以相当的产率获得 β-甲苯磺酰酮 (4)。甲苯磺酰腙在指定位置没有烯基，不能进行本反应。当烯丙基卤化物 (17) 在 DMSO 中与甲苯磺酰肼的阴离子反应时，甲苯磺酰肼的 N-1 发生取代，这与氯化物与甲苯磺酰肼在吡啶中反应的情况不同，后者影响 N-2 的取代。在乙酸中加热时，这些 1-烯丙基糖基酰肼 (18) 以相当的产率提供烯烃 (19)，并具有完全的烯丙基重排。提出了 5→4 和 18→19 反应的协调循环机制。

  DOI：

  10.1246/bcsj.44.1885
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 四氯化碳 、 N-溴代丁二酰亚胺(NBS) 作用下， 生成 (3-溴-1-苯基丙-1-烯-2-基)苯
  参考文献：
  名称：

  Adaptive Diurnal Prediction of Ambient Dry-Bulb Temperature and Solar Radiation

  摘要：

  This paper presents a new adaptive weather-prediction model that can be used for on-line control of HVA C and thermal storage systems. The model can predict external dry-bulb temperature and solar radiation over the next 24 h. Because a building with a fabric thermal storage system has a slow response to thermal loads, a predictive controller is essential to operate the building and associated plant installation to respond effectively to external climatic conditions ahead of time. Three prediction methods a e investigated in the paper: a pure stochastic method, a combined deterministic-stochastic method, and an expanded method for short-term temperature forecast. It has been found that the combined deterministic-stochastic method is simpler and gives the smallest prediction errors. For the prediction of solar radiation, a deterministic model is proposed. The proposed prediction algorithms for temperature and radiation are simple and efficient to conduct on a supervisory PC to predict hourly temperature and radiation profiles over the next 24 h. Updating temperature forecasts using observations available with time is also investigated in this paper.

  DOI：

  10.1080/10789669.2002.10391297

文献信息

• Synthesis of α-methylstilbenes using an aqueous Wittig methodology and application toward the development of potent human aromatase inhibitors
  作者：Alexander J. Nielsen、Sergio Raez-Villanueva、Denis J. Crankshaw、Alison C. Holloway、James McNulty

  DOI：10.1016/j.bmcl.2019.03.033

  日期：2019.6

  styrenes. Application of the α-methylstilbenes toward the synthesis of a collection of stilbenoid-triazoles is reported and their inhibition of CYP450 19A1 (aromatase) investigated. The overall structure-activity profile provided additional evidence on the aryl halide-ketone bioisostere hypothesis and identified 6c as a potent inhibitor of aromatase in vitro (Ki = 8 nM).

  描述了使用三丙基膦衍生的salts盐合成α-甲基对苯二酚的水性Wittig方法学的发展。Wittig烯烃化反应产率高，并且可以通过简单过滤和用水洗涤来分离丁苯醚。通过高效，区域选择性地将溴化氢加到苯乙烯中来获得所使用的新型phospho盐。报道了将α-甲基对苯二酚用于合成一系列对苯二酚-三唑类，并研究了它们对CYP450 19A1（芳香酶）的抑制作用。总体结构活性概况提供了有关芳基卤化物-酮生物等位基因假说的更多证据，并确定6c为体外芳香化酶的有效抑制剂（Ki = 8 nM）。
• Heterocyclic chemistry
  申请人：Novo Nordisk A/S

  公开号：US05604242A1

  公开（公告）日：1997-02-18

  The present invention relates to therapeutically active azaheterocyclic compounds, a method of preparing the same and to pharmaceutical compositions comprising the compounds. The novel compounds are useful in treating a central nervous system ailment related to the GABA uptake.

  本发明涉及治疗活性的氮杂环化合物、其制备方法以及包含该化合物的药物组合物。这些新型化合物可用于治疗与GABA摄取有关的中枢神经系统疾病。
• Tashchuk,K.G. et al., Journal of Organic Chemistry USSR (English Translation), 1967, vol. 3, p. 85 - 87
  作者：Tashchuk,K.G. et al.

  DOI：——

  日期：——
• Horner,L. et al., Chemische Berichte, 1961, vol. 94, p. 1987 - 1996
  作者：Horner,L. et al.

  DOI：——

  日期：——
• Adaptive Diurnal Prediction of Ambient Dry-Bulb Temperature and Solar Radiation
  作者：M. J. Ren、J. A. Wright

  DOI：10.1080/10789669.2002.10391297

  日期：2002.10.1

  This paper presents a new adaptive weather-prediction model that can be used for on-line control of HVA C and thermal storage systems. The model can predict external dry-bulb temperature and solar radiation over the next 24 h. Because a building with a fabric thermal storage system has a slow response to thermal loads, a predictive controller is essential to operate the building and associated plant installation to respond effectively to external climatic conditions ahead of time. Three prediction methods a e investigated in the paper: a pure stochastic method, a combined deterministic-stochastic method, and an expanded method for short-term temperature forecast. It has been found that the combined deterministic-stochastic method is simpler and gives the smallest prediction errors. For the prediction of solar radiation, a deterministic model is proposed. The proposed prediction algorithms for temperature and radiation are simple and efficient to conduct on a supervisory PC to predict hourly temperature and radiation profiles over the next 24 h. Updating temperature forecasts using observations available with time is also investigated in this paper.