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N-三苯甲基-4-溴吡唑 | 95162-14-4

N-三苯甲基-4-溴吡唑
4-Bromo-1-trityl-1H-pyrazole
95162-14-4
C22H17BrN2
389.287784337997
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:N-三苯甲基-4-溴吡唑结构式
名称和标识符
MDL MFCD09907863
InChIKey CPENTLJGGGSVAJ-UHFFFAOYSA-N
Inchi 1S/C22H17BrN2/c23-21-16-24-25(17-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
SMILES BrC1=CN(C(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)N=C1
别名信息
- 中文别名 -
  • 1-三苯甲基-4-溴吡唑
  • 4-溴-1-三甲基-1H-吡唑
  • N-三苯甲基-4-溴吡唑
  • 4-溴-1-三苯甲基吡唑
- 英文别名 -
  • 4-Bromo-1-trityl-1H-pyrazole
  • 4-Bromo-1-tritylpyrazole
  • 1H-Pyrazole,4-bromo-1-(triphenylmethyl)-
  • 4-Bromo-1-trityl-1H-pyraziole
  • 4-bromo-1-(triphenylmethyl)-1H-pyrazole
  • 1H-Pyrazole, 4-bromo-1-(triphenylmethyl)-
  • N-trityl-4-bromopyrazole
  • 4-bromo-1-N-tritylpyrazole
  • 1-Trityl-4-bromo-1H-pyrazole
  • 4-bromo-1-trityl-1-H-pyrazole
  • CPENTLJGGGSVAJ-UHFFFAOYSA-N
  • RB3227
  • 6345AC
  • TRA0007730
  • AM62736
  • SC-
  • 4-Bromo-1-(triphenylmethyl)-1H-pyrazole (ACI)
  • Pyrazole, 4-bromo-1-trityl- (7CI)
  • 4-Bromo-1-triphenylmethyl-1H-pyrazole
物化性质
实验特性
LogP 5.48580
PSA 17.82000
熔点 186-188 ºC (hexane )
溶解度 Insuluble (7.4E-4 g/L) (25 ºC),
密度 1.27±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 388.05800
氢键供体数量 0
氢键受体数量 1
可旋转化学键数量 4
重原子数量 25
复杂度 363
拓扑分子极性表面积 17.8
海关数据
海关编码 2933199090
海关数据

中国海关编码:

2933199090

概述:

2933199090. 其他结构上有非稠合吡唑环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Synthesis of 4-aryl-1H-pyrazoles by Suzuki-Miyaura cross coupling reaction between 4-bromo-1H-1-tritylpyrazole and arylboronic acids
Ichikawa, Hayato; Nishioka, Miho; Arimoto, Masao; Usami, Yoshihide, Heterocycles, 2010, 81(6), 1509-1516

合成路线:1 步

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参考文献:
Preparation of aryloxypyridinamines and related compounds as inhibitors of Notch signaling pathway and use thereof in treatment of cancers
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Anderson, Erin D.; Boger, Dale L., Journal of the American Chemical Society, 2011, 133(31), 12285-12292

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Kershaw Cook, Laurence J.; Kearsey, Rachel; Lamb, Jessica V.; Pace, Edward J.; Gould, Jamie A., Tetrahedron Letters, 2016, 57(8), 895-898

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参考文献:
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Gopula, Balraj; Tsai, Yun-Fan; Kuo, Ting-Shen; Wu, Ping-Yu; Henschke, Julian P.; et al, Organic Letters, 2015, 17(5), 1142-1145

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参考文献:
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参考文献:
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参考文献:
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Das, Mrinmoy; Zamani, Leila; Bratcher, Christopher; Musacchio, Patricia Z., Journal of the American Chemical Society, 2023, 145(7), 3861-3868

合成路线:1 步

反应条件:
参考文献:
Solvent-free synthesis of metal-organic frameworks using low-melting metal salts
Azbell, Tyler J.; Pitt, Tristan A.; Bollmeyer, Melissa M.; Cong, Christina; Lancaster, Kyle M.; et al, ChemRxiv, 2022, 1, 1-11

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参考文献:
Synthesis of functionalized 5-(4-arylpiperazin-1-yl)-N-arylpentanamides and their evaluation as D3 receptor ligands
Blass, Benjamin E. ; Chen, Peng-Jen; Gordon, John C., Medicinal Chemistry Research, 2022, 31(5), 735-748

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参考文献:
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相关文献
  • 1. Pyrolysis of 1-substituted pyrazoles and chloroform at 550?°C: formation of α-carboline from 1-benzylpyrazoles
    Inayat A. Bhatti,Reginald E. Busby,Murtedza bin Mohamed,John Parrick,C. J. Granville Shaw J. Chem. Soc. Perkin Trans. 1 1997 3581
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