CAS: 799814-30-5; 2-(Difluoromethyl)Benzonitrile

该化合物是一种有机化合物,其特点是与芳香环所附的二氟甲基组有苯硝酸酯,其分子结构中含有一种苯环,该环被硝酸(-CN)和二氟甲基组(-CF2H)所替代,这对其化学特性有重大影响.该化合物一般无色可粉黄,可粉黄液体或固体,视其室内温度的物理状态而定.该化合物呈现中度极性,因为有硝酸功能组,可参与氢的结合和极度相互作用.二氟甲基组可增强其亲性,并可在各种化学反应中影响其再活动,使其成为有机合成中有价值的中间体,特别是在制药业和农化工业中.此外,2-二氟甲基苯甲三烯可能会由于氟原子的电镀性质而表现出独特的电子特性,从而影响其在化学反应和与生物系统相互作用中的行为.

结构式图片

物理性质

MSDS等安全信息

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CAS号7468-67-9 2-氰基苯甲醛 | CAS号4387-36-4 2-碘氰基苯 | CAS号1335290-31-7 ethyl 2-(2-cyan... | CAS号799814-32-7 2-二氟甲基苯甲酸

合成工艺路线路线简述

  • 2042-37-7 + 1511-62-2 = 799814-30-5
    反应条件:1.1 Reagents: 2,6-Lutidine,Tris(Trimethylsilyl)Silane Catalysts: Iridium(1+),[4,4′-Bis(1,1-Dimethylethyl)-2,2′-Bipyridine-Kn1,Kn1′]Bis[3,5-Diflu...,Nickel,[4,4′-Bis(1,1-Dimethylethyl)-2,2′-Bipyridine-Kn1,Kn1′]Dibromo-,(T-4)- Solvents: 1,2-Dimethoxyethane; 18 H,Rt
    标题:Metallaphotoredox Difluoromethylation Of Aryl Bromides
    作者:Bacauanu,Vlad; Et Al
    参考文献:Angewandte Chemie 日期:2018 卷标:57(38) 页码:12543-12548]

    4387-36-4 + 1438388-96-5 = 799814-30-5
    反应条件:1.1 Reagents: Cuprous Iodide,Potassium Fluoride Solvents: Dimethylacetamide; 24 H,100 - 120 °C
    标题:Tributyl(Difluoromethyl)Stannane
    作者:Prakash,G. K. Surya; Et Al
    参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2015 卷标:1]

    1493-03-4 + 1072906-12-7 = 799814-30-5
    反应条件:1.1 Catalysts: N,N,N′,N′-Tetramethylethylenediamine,Bis(1,5-Cyclooctadiene)Nickel Solvents: Tetrahydrofuran; 5 Min,Rt; Rt -> 0 °C1.2 Solvents: Tetrahydrofuran; 0 °C; 1 H,Rt1.3 Reagents: Ammonium Chloride Solvents: Water
    标题:Nickel-Catalyzed Aromatic Cross-Coupling Difluoromethylation Of Grignard Reagents With Difluoroiodomethane
    作者:Motohashi,Hirotaka; Et Al
    参考文献:Organic Letters 日期:2018 卷标:20(17) 页码:5340-5343]

    1493-03-4 + 7226-23-5 = 799814-30-5
    反应条件:1.1 Reagents: Dimethylformamide,Diethylzinc Solvents: Hexane; -40 °C; -40 °C; 1 H,0 °C1.2 0 °C; 30 Min,0 °C2.1 Catalysts: Cuprous Iodide Solvents: 1,3-Dimethyl-3,4,5,6-Tetrahydro-2(1H)-Pyrimidinone; Rt; 24 H,60 °C2.2 Reagents: Hydrochloric Acid Solvents: Water
    标题:Copper-Catalyzed Difluoromethylation Of Aryl Iodides With (Difluoromethyl)Zinc Reagent
    作者:Serizawa,Hiroki; Et Al
    参考文献:Organic Letters 日期:2016 卷标:18(15) 页码:3686-3689]

    4387-36-4 + 205865-67-4 = 799814-30-5
    反应条件:1.1 Reagents: Cuprous Iodide,Potassium Fluoride Solvents: Dimethyl Sulfoxide; Rt; 15 H,60 °C1.2 Reagents: Water2.1 Reagents: Potassium Carbonate Solvents: Methanol,Water; 1 - 2 H,25 °C2.2 Reagents: Potassium Fluoride Solvents: N-Methyl-2-Pyrrolidone; 2 H,200 °C
    标题:A New Method For Aromatic Difluoromethylation: Copper-Catalyzed Cross-Coupling And Decarboxylation Sequence From Aryl Iodides
    作者:Fujikawa,Kenichi; Et Al
    参考文献:Organic Letters 日期:2011 卷标:13(20) 页码:5560-5563]

    754-25-6 = 799814-30-5
    反应条件:1.1 Catalysts: Calcium Iodide Solvents: N-Methyl-2-Pyrrolidone; 45 °C; 1 H,45 °C; 45 °C -> Rt1.2 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 45 Min,Rt2.1 Reagents: Cuprous Iodide,Potassium Fluoride Solvents: Dimethylacetamide; 24 H,100 °C
    标题:Copper-Mediated Difluoromethylation Of (Hetero)Aryl Iodides And β-Styryl Halides With Tributyl(Difluoromethyl)Stannane
    作者:Prakash,G. K. Surya; Et Al
    参考文献:Angewandte Chemie 日期:2012 卷标:51(48) 页码:12090-12094]

    447-60-9 = 799814-30-5
    反应条件:1.1 Reagents: 1,2,2,6,6-Pentamethylpiperidine,4-Mercaptophenol,2,2,6,6-Tetramethylpiperidine Catalysts: 2,4,5,6-Tetrakis(Diphenylamino)-1,3-Benzenedicarbonitrile Solvents: 1,2-Dichloroethane; 12 H,Rt
    标题:Organophotoredox Hydrodefluorination Of Trifluoromethylarenes With Translational Applicability To Drug Discovery
    作者:Sap,Jeroen B. I.; Et Al
    参考文献:Journal Of The American Chemical Society 日期:2020 卷标:142(20) 页码:9181-9187]

    4387-36-4 + 1438388-96-5 = 799814-30-5
    反应条件:1.1 Reagents: Cuprous Iodide,Potassium Fluoride Solvents: Dimethylacetamide; 24 H,100 °C
    标题:Copper-Mediated Difluoromethylation Of (Hetero)Aryl Iodides And β-Styryl Halides With Tributyl(Difluoromethyl)Stannane
    作者:Prakash,G. K. Surya; Et Al
    参考文献:Angewandte Chemie 日期:2012 卷标:51(48) 页码:12090-12094]

    1335290-31-7 = 799814-30-5
    反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol,Water; 1 - 2 H,25 °C1.2 Reagents: Potassium Fluoride Solvents: N-Methyl-2-Pyrrolidone; 2 H,200 °C
    标题:A New Method For Aromatic Difluoromethylation: Copper-Catalyzed Cross-Coupling And Decarboxylation Sequence From Aryl Iodides
    作者:Fujikawa,Kenichi; Et Al
    参考文献:Organic Letters 日期:2011 卷标:13(20) 页码:5560-5563]

    1878193-35-1 + 4387-36-4 = 799814-30-5
    反应条件:1.1 Catalysts: Cuprous Iodide Solvents: 1,3-Dimethyl-3,4,5,6-Tetrahydro-2(1H)-Pyrimidinone; Rt; 24 H,60 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
    标题:Copper-Catalyzed Difluoromethylation Of Aryl Iodides With (Difluoromethyl)Zinc Reagent
    作者:Serizawa,Hiroki; Et Al
    参考文献:Organic Letters 日期:2016 卷标:18(15) 页码:3686-3689]

    4387-36-4 + 2086677-58-7 = 799814-30-5
    反应条件:1.1 Solvents: Toluene; 20 H,90 °C
    标题:Synthesis,Reactivity,And Catalytic Applications Of Isolable (Nhc)Cu(Chf2) Complexes
    作者:Bour,James R.; Et Al
    参考文献:Organometallics 日期:2017 卷标:36(7) 页码:1220-1223]

    4387-36-4 = 799814-30-5
    反应条件:1.1 Reagents: Bromo(1-Methylethyl)Magnesium Solvents: Tetrahydrofuran2.1 Catalysts: N,N,N′,N′-Tetramethylethylenediamine,Bis(1,5-Cyclooctadiene)Nickel Solvents: Tetrahydrofuran; 5 Min,Rt; Rt -> 0 °C2.2 Solvents: Tetrahydrofuran; 0 °C; 1 H,Rt2.3 Reagents: Ammonium Chloride Solvents: Water
    标题:Nickel-Catalyzed Aromatic Cross-Coupling Difluoromethylation Of Grignard Reagents With Difluoroiodomethane
    作者:Motohashi,Hirotaka; Et Al
    参考文献:Organic Letters 日期:2018 卷标:20(17) 页码:5340-5343]

    578743-87-0 + 65864-64-4 = 799814-30-5
    反应条件:1.1 Reagents: Sodium Tert-Butoxide Solvents: Tetrahydrofuran; 10 S,Rt; 1 H,Rt1.2 Solvents: Tetrahydrofuran; 1 H,Rt2.1 Solvents: Toluene; 20 H,90 °C
    标题:Synthesis,Reactivity,And Catalytic Applications Of Isolable (Nhc)Cu(Chf2) Complexes
    作者:Bour,James R.; Et Al
    参考文献:Organometallics 日期:2017 卷标:36(7) 页码:1220-1223]

    81290-20-2 = 799814-30-5
    反应条件:1.1 Reagents: Calcium Iodide Solvents: N-Methyl-2-Pyrrolidone; 45 °C2.1 Reagents: Cuprous Iodide,Potassium Fluoride Solvents: Dimethylacetamide; 24 H,100 - 120 °C
    标题:Tributyl(Difluoromethyl)Stannane
    作者:Prakash,G. K. Surya; Et Al
    参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2015 卷标:1]

    76-04-0 = 799814-30-5
    反应条件:1.1 Reagents: Potassium Iodide,Cuprous Iodide Solvents: Dimethylformamide,Water; 0.5 H,90 °C; 90 °C -> 150 °C2.1 Catalysts: N,N,N′,N′-Tetramethylethylenediamine,Bis(1,5-Cyclooctadiene)Nickel Solvents: Tetrahydrofuran; 5 Min,Rt; Rt -> 0 °C2.2 Solvents: Tetrahydrofuran; 0 °C; 1 H,Rt2.3 Reagents: Ammonium Chloride Solvents: Water
    标题:Nickel-Catalyzed Aromatic Cross-Coupling Difluoromethylation Of Grignard Reagents With Difluoroiodomethane
    作者:Motohashi,Hirotaka; Et Al
    参考文献:Organic Letters 日期:2018 卷标:20(17) 页码:5340-5343]

    75-77-4 + 383-62-0 = 799814-30-5
    反应条件:1.1 Reagents: Magnesium Solvents: Dimethylformamide; 0 °C; 90 Min,Rt1.2 Reagents: Water2.1 Reagents: Cuprous Iodide,Potassium Fluoride Solvents: Dimethyl Sulfoxide; Rt; 15 H,60 °C2.2 Reagents: Water3.1 Reagents: Potassium Carbonate Solvents: Methanol,Water; 1 - 2 H,25 °C3.2 Reagents: Potassium Fluoride Solvents: N-Methyl-2-Pyrrolidone; 2 H,200 °C
    标题:A New Method For Aromatic Difluoromethylation: Copper-Catalyzed Cross-Coupling And Decarboxylation Sequence From Aryl Iodides
    作者:Fujikawa,Kenichi; Et Al
    参考文献:Organic Letters 日期:2011 卷标:13(20) 页码:5560-5563
📜2-三氟甲基苯腈置于2,2,6,6-四甲基哌啶,1,2,2,6,6-五甲基哌啶,二乙二醇二甲醚,五氟苯硫酚,苯硅烷体系中,用73%的收率获得产物2-二氟甲基苯腈
参考文献:通过改变市售的芳烃硫醇盐进行电子可变 Arcf3 的一般光催化加氢脱氟和脱氟烷基化
标题:通过改变市售的芳烃硫醇盐进行电子可变 Arcf3 的一般光催化加氢脱氟和脱氟烷基化
摘要:尽管多个研究小组对三氟甲基芳烃的脱氟官能化进行了研究,但根据特定的底物族,需要相应不同种类的催化剂才能获得相应的rcf 2 Ar化合物.在此,我们报告了一种用于arcf 3选择性加氢脱氟(hdf)和脱氟烷基化(dfa)的通用光催化方法.使用电子不同的芳烃硫醇盐作为光敏剂,从多种电子可变的三氟甲基芳烃(包括天然产物和生物活性分子)合成了 88 种 α,α-二氟甲基化合物.我们的机理研究揭示了光诱导的电子供体-受体 (Eda) 络合,然后是硅烷辅助的 C-F 键激活.
DOI:10.1039/d3Gc05041F

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摘要:Wu, S.; Song, H.; Hu, M., Science of Synthesis: Modern Strategies in Organofluorine Chemistry , (2024) 1, 2.
摘要:Wu, S.; Song, H.; Hu, M., Science of Synthesis: Modern Strategies in Organofluorine Chemistry , (2024) 1, 65.
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