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2-(phenylamino)-1-(4-(trifluoromethyl)phenyl)ethan-1-one | 1609985-30-9

中文名称
——
中文别名
——
英文名称
2-(phenylamino)-1-(4-(trifluoromethyl)phenyl)ethan-1-one
英文别名
2-Anilino-1-[4-(trifluoromethyl)phenyl]ethanone
2-(phenylamino)-1-(4-(trifluoromethyl)phenyl)ethan-1-one化学式
CAS
1609985-30-9
化学式
C15H12F3NO
mdl
——
分子量
279.262
InChiKey
FGCIIOKVKPFRBV-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

物化性质

  • 沸点:
    413.8±45.0 °C(Predicted)
  • 密度:
    1.279±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    4.2
  • 重原子数:
    20
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.13
  • 拓扑面积:
    29.1
  • 氢给体数:
    1
  • 氢受体数:
    5

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    硫氰酸苄酯2-(phenylamino)-1-(4-(trifluoromethyl)phenyl)ethan-1-oneN,N-二甲基甲酰胺 为溶剂, 反应 1.0h, 生成 2-(benzylthio)-1-phenyl-4-(4-(trifluoromethyl)phenyl)-1H-imidazole
    参考文献:
    名称:
    [EN] PROTEIN AND LIPID THERAPEUTIC TARGETS
    [FR] CIBLES THÉRAPEUTIQUES PROTÉINIQUES ET LIPIDIQUES
    摘要:
    Disclosed are compounds and methods for preventing or treating necroinflammation associated with ferroptotic processes. The method includes inhibiting 15 lipoxygenase/phosphatidylethanolamine binding protein (15LOX/PEBP1) complex, wherein the inhibitor exhibits a higher binding affinity or binding activity for 15LOX/PEBP1 complex compared to 15LOX alone. Necroinflammation associated with ferroptotic processes causes several pathogenic conditions including upper or lower respiratory disorders, acute or chronic brain injury, renal injury, injury by radiation, neurodegenerative disorder, among others. The disclosed compounds and methods are useful in subjects diagnosed with one or more of these conditions.
    公开号:
    WO2022108980A1
  • 作为产物:
    参考文献:
    名称:
    铜催化α-氨基羰基化合物与硝基甲烷的氧化脱氢偶联合成(Z)-硝基烯烃衍生物。
    摘要:
    建立了一种新型的铜催化的α-氨基羰基化合物与硝基甲烷的交叉脱氢偶联反应,以合成(Z)-硝基烯烃衍生物。(Z)-硝基烯烃衍生物是通过sp 3 CsbndH键的断裂和CsbndC双键的形成而实现的,反应条件温和,立体选择性好。
    DOI:
    10.1016/j.tetlet.2018.07.032
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文献信息

  • Copper-catalyzed oxidative cross-coupling of α-aminocarbonyl compounds with primary amines toward 2-oxo-acetamidines
    作者:Chuang Chen、Menghua Zhu、Lihui Jiang、Zebing Zeng、Niannian Yi、Jiannan Xiang
    DOI:10.1039/c7ob02012k
    日期:——
    A general and mild method for the construction of a carbon–nitrogen bond via copper-catalyzed oxidative cross-coupling of amines with α-aminocarbonyl compounds was achieved. Amines, either aliphatic primary amines, aromatic primary amines or secondary amines can be used as the starting materials. When R2 was different from R3, two isomers would be observed. Therefore, this reaction system has a broad
    通过胺与α-基羰基化合物的催化的氧化交叉偶联,实现了构建碳-氮键的通用且温和的方法。胺,脂族伯胺,芳族伯胺或仲胺都可用作起始原料。当R 2与R 3不同时,将观察到两个异构体。因此,该反应系统具有广泛的底物范围,并提供了合成2-氧代-乙s的简便途径。
  • Synthesis of 3-acylated indoles through iron-catalyzed oxidative coupling of indoles with <font>α</font>-amino carbonyl compounds
    作者:Niannian Yi、Jinxia Li、Hao Zhang、Ruijia Wang、Jun Jiang、Wei Deng、Zebing Zeng、Jiannan Xiang
    DOI:10.1080/00397911.2017.1364767
    日期:2017.11.17
    ABSTRACT A novel iron-catalyzed oxidative coupling of indoles with α-amino carbonyl compounds has been developed. The transformation provides an attractive approach to the synthesis of 3-acylindoles, with the advantages of easily available starting materials and high functional group tolerance. Furthermore, control experiments imply that a radical process maybe involved in this reaction. GRAPHICAL
    摘要已开发出一种新型催化吲哚与 α-基羰基化合物的氧化偶联。该转化为 3-酰基吲哚的合成提供了一种有吸引力的方法,具有原料容易获得和官能团耐受性高的优点。此外,对照实验表明该反应可能涉及自由基过程。图形概要
  • Nickel-Catalyzed Oxidative Cyclotrimerization of α-Amino Ketones: Selective Synthesis of Pyrazoles
    作者:Jian-Nan Xiang、Jin-Heng Li、Ri-Yuan Tang、Xiao-Kang Guo、Ming Hu、Zhi-Qiang Wang
    DOI:10.1055/s-0033-1340014
    日期:——
    A new strategy for the synthesis of 3-methylene-2,3-dihydro-1 H -pyrazoles is presented by Ni-catalyzed oxidative cyclotrimerization of α-amino ketones. This unprecedented method allows three α-amino ketones to undergo sequential multiple deprotonations and deamination through two C–C bonds and one N–N bond formation cascade.
    通过Ni催化的α-基酮氧化环三聚反应,提出了一种合成3-亚甲基-2,3-二氢-1H-吡唑的新策略。这种前所未有的方法允许三个 α-基酮通过两个 C-C 键和一个 N-N 键形成级联进行连续多次去质子化和脱基。
  • Copper-Catalyzed C−N Bond Formation <i>via</i> Oxidative Cross-Coupling of Amines with α-Aminocarbonyl Compounds
    作者:Xing-Xing Liu、Zhao-Yang Wu、Yong-Qin He、Xiao-Qiang Zhou、Ting Hu、Chao-Wei Ma、Guo-Sheng Huang
    DOI:10.1002/adsc.201600132
    日期:2016.7.28
    for the simple coppercatalyzed α‐amination of α‐aminocarbonyl compounds to afford 2‐amino‐2‐iminocarbonyl and 2‐amino‐2‐oxocarbonyl compounds is reported. This transformation is achieved by C(sp3)−H and N−H bond oxidative cross‐coupling and selective C−N bond oxidative cleavage. This reaction system has a broad reaction scope, providing a facile pathway for the α‐functionalization of α‐amino ketones
    报道了一种新颖且选择性的方法,用于简单的催化α-基羰基化合物的α-基化反应,以提供2-基-2-亚基羰基和2-基-2-氧代羰基化合物。这种转变是通过C(sp 3)-H和N-H键的氧化交叉偶联以及选择性的C-N键的氧化裂解来实现的。该反应系统具有广泛的反应范围,为α-基酮的α-官能化提供了便捷的途径。
  • Aniline-initiated and BrØnsted acid-catalyzed one-pot reaction toward 2-aryl-3-sulfenylindoles by using α-aminocarbonyl compounds and primary amines with RSSR
    作者:Yuxuan Liu、De Chen、Chaozhihui Cheng、Wenjian Guan、Yongyue Luo、Jiajia Zhang、Wei Deng、Jiannan Xiang
    DOI:10.1016/j.catcom.2020.106217
    日期:2021.1
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