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1-butyl-3,5-bis(trifluoromethyl)benzene | 1416330-93-2

中文名称
——
中文别名
——
英文名称
1-butyl-3,5-bis(trifluoromethyl)benzene
英文别名
——
1-butyl-3,5-bis(trifluoromethyl)benzene化学式
CAS
1416330-93-2
化学式
C12H12F6
mdl
——
分子量
270.218
InChiKey
IYQOOUJUPLVGMY-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    5.6
  • 重原子数:
    18
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    0
  • 氢给体数:
    0
  • 氢受体数:
    6

反应信息

  • 作为产物:
    描述:
    3,5-二三氟甲基苯酚4-二甲氨基吡啶 、 iron(III) fluoride trihydrate 、 三乙胺1,3-双(2,6-二异丙基苯基)氯化咪唑鎓 作用下, 以 四氢呋喃乙醚二氯甲烷 为溶剂, 反应 3.0h, 生成 1-butyl-3,5-bis(trifluoromethyl)benzene
    参考文献:
    名称:
    Iron-Catalyzed Cross-Coupling Reactions of Alkyl Grignards with Aryl Sulfamates and Tosylates
    摘要:
    The iron-catalyzed cross-coupling of aryl sulfamates and tosylates has been achieved with primary and secondary alkyl Grignards. This study of iron-catalyzed cross-coupling reactions also examines the isomerization and beta-hydride elimination problems that are associated with the use of isopropyl nucleophiles. While a variety of iron sources were competent in the reaction, the use of FeF3 center dot 3H(2)O was critical to minimize nucleophile isomerization.
    DOI:
    10.1021/ol303130j
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文献信息

  • Lipids as versatile solvents for chemical synthesis
    作者:Ashot Gevorgyan、Kathrin H. Hopmann、Annette Bayer
    DOI:10.1039/d1gc02311j
    日期:——
    Development of safe, renewable, cheap and versatile solvents is a longstanding challenge in chemistry. We show here that vegetable oils and related systems can become prominent solvents for organic synthesis. Suzuki–Miyaura, Hiyama, Stille, Sonogashira and Heck cross-couplings proceed with quantitative yields in a range of vegetable oils, fish oil, butter and waxes used as solvents. Appropriate methodologies
    开发安全、可再生、廉价且用途广泛的溶剂是化学领域的一项长期挑战。我们在这里展示了植物油和相关系统可以成为有机合成的主要溶剂。Suzuki–Miyaura、Hiyama、Stille、Sonogashira 和 Heck 交叉偶联在一系列用作溶剂的植物油、鱼油、黄油和蜡中进行定量产率。介绍了适用于植物油和相关脂质的高通量筛选和可持续分离技术的适当方法。
  • Substituted imidazo[1,2-a]pyrazines as luciferase substrates
    申请人:PROMEGA CORPORATION
    公开号:US10308975B2
    公开(公告)日:2019-06-04
    Described are substituted imidazo[1,2-a]pyrazine compounds, which are coelenterazine analogs, kits comprising the compounds, and methods of using the compounds for the detection of luminescence in luciferase-based assays. Also described are methods for making the compounds, such as a method using aminopyrazine acetophosphonates as synthesis intermediates.
    描述了取代的咪唑并[1,2-a]吡嗪化合物(属于腔肠素类似物)、包含这些化合物的试剂盒以及使用这些化合物检测基于荧光素酶的测定中发光的方法。此外还描述了制造这些化合物的方法,例如使用氨基吡嗪乙酰膦酸盐作为合成中间体的方法。
  • COELENTERAZINE ANALOGUES
    申请人:PROMEGA CORPORATION
    公开号:US20180223330A1
    公开(公告)日:2018-08-09
    Described are coelenterazine analogues, methods for making the analogues, kits comprising the analogues, and methods of using the compounds for the detection of luminescence in luciferase-based assays.
  • SULFONAMIDE DERIVATIVES AND USES THEREOF
    申请人:NodThera Limited
    公开号:US20220267300A1
    公开(公告)日:2022-08-25
    The present disclosure relates to compounds of Formula (I) or (II): and to their prodrugs, pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein are useful for inhibiting the maturation of cytokines of the IL-1 family by inhibiting inflammasomes and may be used in the treatment of disorders in which inflammasome activity is implicated, such as inflammatory, autoinflammatory and autoimmune diseases and cancers.
  • Iron-Catalyzed Cross-Coupling Reactions of Alkyl Grignards with Aryl Sulfamates and Tosylates
    作者:Toolika Agrawal、Silas P. Cook
    DOI:10.1021/ol303130j
    日期:2013.1.4
    The iron-catalyzed cross-coupling of aryl sulfamates and tosylates has been achieved with primary and secondary alkyl Grignards. This study of iron-catalyzed cross-coupling reactions also examines the isomerization and beta-hydride elimination problems that are associated with the use of isopropyl nucleophiles. While a variety of iron sources were competent in the reaction, the use of FeF3 center dot 3H(2)O was critical to minimize nucleophile isomerization.
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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cnmr
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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