CAS: 86-29-3; 2,2-Diphenylacetonitrile

• 英文名称2,2-Diphenylacetonitrile
• 中文名称二苯乙腈
• IUPAC名称2,2-diphenylacetonitrile
• 其它别名α-氰基二苯甲烷; α氰基二苯甲烷; 2,2-Diphenylacetonitrile
• CAS编号86-29-3
• MFCD编号:MFCD00001862
• EINECS号:201-662-5
• FDA UNII编号:QK4W106TKU
• 分子式:C14H11N
• 分子量:193.25
• 产品CID: 1864126
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: NEBPTMCRLHKPOB-UHFFFAOYSA-N
• InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数2.0

物理性质

• 熔点71-73°C
• 沸点181°C at 760 mmHg
• 闪点120 °C
• 密度1.1061 (粗估)
• PSA:23.79
• LogP:3.34208
• 折射率1.5850 (估算)
• 蒸汽压21.3 hPa (190 °C)
• 溶解性Insoluble
• 外观形态白色至奶油色或淡黄色结晶粉末
• 储存条件存储低于 +30°C.
• 产品应用用作有机合成中间体.在医药方面用来生产胃胺,苯乙哌啶,类散痛等药物.
• 性质描述白色结晶.熔点76°C,沸点181°C(1.6kPa).不溶于水,溶于乙醇,乙醚.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别水生慢性毒性 类别2
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  急性毒性 类别3(经口)
  急性毒性 类别5(经口)
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H411 |对水生生物有毒并具有长期持续影响.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H301 |吞咽会中毒.
  H303 |May be 吞咽有害
• 防范说明P273-P391-P501
• 危险等级9
• UN编号3077.0
• 危险品标志Xi
• 包装等级Ⅲ
• 安全声明26-36-37/39
• 危险类别码36/37/38
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 Diphenylacetonitrile 主要起始原料 Bromobenzyl Cyanide And Benzene
• 7677-24-9 + 5433-78-3 = 86-29-3
  反应条件:1.1 Reagents: Aluminum Chloride Solvents: Dichloromethane; 1 H,25 °C1.2 Reagents: Sodium Hydroxide Solvents: Water
  标题:Palladium-Catalyzed Benzylic Direct Arylation Of Benzyl Sulfones With Aryl Halides
  作者:Niwa,Takashi; Et Al
  参考文献:Tetrahedron 日期:2009 卷标:65(10) 页码:1971-1976]
  
  4695-13-0 = 86-29-3
  反应条件:1.1 Catalysts: Cupric Acetate,1,2-Bis(Dicyclohexylphosphino)Ethane Solvents: Tetrahydrofuran; 5 Min,Rt1.2 Reagents: Poly(Methylhydrosiloxane); 5 Min,Rt; 12 H,Rt1.3 Reagents: Ammonium Fluoride Solvents: Methanol; Rt; 30 Min,Rt
  标题:Mechanistic Insight Facilitates Discovery Of A Mild And Efficient Copper-Catalyzed Dehydration Of Primary Amides To Nitriles Using Hydrosilanes
  作者:Liu,Richard Y.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2018 卷标:140(5) 页码:1627-1631]
  
  2997-21-9 = 86-29-3
  反应条件:1.1 Catalysts: (Pb-7-11-22222)-Pentahydrobis[tris(1-Methylethyl)Phosphine]Iridium Solvents: Toluene; 150 °C
  标题:Pentahydridobis(Triisopropylphosphine)Iridium(V)
  作者:Murahashi,Shun-Ichi; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001]
  
  7677-24-9 + 91-01-0 = 86-29-3
  反应条件:1.1 Catalysts: Lithium Carbonate (Li2Co3),Iodine Solvents: Dichloromethane; 5 H,35 °C1.2 Reagents: Sodium Thiosulfate Solvents: Water
  标题:I2/li2Co3-Promoted Cyanation Of Diarylalcohols Through A Dual Activation Process
  作者:Hu,Liangzhen; Et Al
  参考文献:Tetrahedron 日期:2019 卷标:75(2) 页码:308-314]
  
  88156-52-9 = 86-29-3 [标题:Reaction Conditions
  标题:New Methods And Reagents In Organic Synthesis. 45. A New Synthesis Of Some Nonsteroidal Antiinflammatory Agents Via Cyano Phosphates
  作者:Harusawa,Shinya; Et Al
  参考文献:Synthetic Communications 日期:1984 卷标:14(14) 页码:1365-71]
  
  88156-52-9 = 86-29-3
  反应条件:1.1 Reagents: Tert-Butanol,Samarium Iodide (Smi2) Solvents: Tetrahydrofuran
  标题:Reductions With Samarium(Ii) Iodide
  作者:Molander,Gary A.
  参考文献:Organic Reactions (Hoboken 日期:1994 卷标:46]
  
  105381-44-0 = 86-29-3
  反应条件:1.1 Reagents: Triethylamine,Trifluoromethanesulfonic Anhydride Solvents: Dichloromethane
  标题:The Beckmann Reactions: Rearrangements,Elimination-Additions,Fragmentations,And Rearrangement-Cyclizations
  作者:Gawley,Robert E.
  参考文献:Organic Reactions (Hoboken 日期:1988 卷标:35]
  
  = 86-29-3
  反应条件:1.1 Catalysts: Palladium Diacetate,1,1′-[1,1′-Biphenyl]-2,2′-Diylbis[1,1-Dicyclohexylphosphine] Solvents: 1,4-Dioxane; 30 Min,Rt1.2 Reagents: Tripotassium Phosphate Solvents: 1,4-Dioxane; Rt; 24 H,80 °C
  标题:The Concise Synthesis Of Unsymmetric Triarylacetonitriles Via Pd-Catalyzed Sequential Arylation: A New Synthetic Approach To Tri- And Tetraarylmethanes
  作者:Nambo,Masakazu; Et Al
  参考文献:Organic Letters 日期:2015 卷标:17(1) 页码:50-53]
  
  947-91-1 = 86-29-3
  反应条件:1.1 Reagents: Hydroxyamine Hydrochloride,2(1H)-Pyrimidinone,Tetrahydro-1,3-Dimethyl-,Hydrochloride (1:1) Solvents: Acetonitrile; 3 - 4 H,60 °C
  标题:HCL.Dmpu-Assisted One-Pot And Metal-Free Conversion Of Aldehydes To Nitriles
  作者:Mudshinge,Sagar R.; Et Al
  参考文献:Green Chemistry 日期:2020 卷标:22(13) 页码:4161-4164]
  
  947-91-1 = 86-29-3
  反应条件:1.1 Reagents: Hydroxyamine Hydrochloride Catalysts: Tetrabutylammonium Hexafluorophosphate,Methanesulfonic Acid,1,1,1-Trifluoro-,Calcium Salt (2:1) Solvents: Dimethylacetamide; 45 - 70 Min,120 °C
  标题:Lewis Acid Catalyzed Nitrile Synthesis From Aldehyde
  作者:Bariya,Dipakkumar; Et Al
  参考文献:Tetrahedron Letters 日期:2022 卷标:94]
  
  57-12-5 + 10549-76-5 + 91-01-0 = 86-29-3
  反应条件:1.1 Reagents: 2,3-Dichloro-5,6-Dicyano-1,4-Benzoquinone,Triphenylphosphine Solvents: Acetonitrile; 20 H,Rt
  标题:Conversion Of Alcohols,Thiols,And Trimethylsilyl Ethers To Alkyl Cyanides Using Triphenylphosphine/2,3-Dichloro-5,6-Dicyanobenzoquinone/n-Bu4Ncn
  作者:Iranpoor,Nasser; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2004 卷标:69(7) 页码:2562-2564]
  
  4695-13-0 = 86-29-3
  反应条件:1.1 Reagents: Phosphorus Oxychloride
  标题:Preparation Of Diphenylacetonitrile
  作者:Reid,Wm. Bradley Jr.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1948 卷标:70]
  
  90-99-3 + 7677-24-9 = 86-29-3
  反应条件:1.1 Catalysts: Lithium Carbonate (Li2Co3),Iodine Solvents: Dichloromethane; 5 H,35 °C1.2 Reagents: Sodium Thiosulfate Solvents: Water
  标题:I2/li2Co3-Promoted Cyanation Of Diarylalcohols Through A Dual Activation Process
  作者:Hu,Liangzhen; Et Al
  参考文献:Tetrahedron 日期:2019 卷标:75(2) 页码:308-314]
  
  2997-21-9 = 86-29-3
  反应条件:1.1 Catalysts: (Pb-7-11-22222)-Pentahydrobis[tris(1-Methylethyl)Phosphine]Iridium Solvents: Toluene; 150 °C
  标题:Pentahydridobis(Triisopropylphosphine)-Iridium(V)
  作者:Murahashi,Shun-Ichi; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2011 卷标:1 页码:1-3]
  
  2997-21-9 = 86-29-3
  反应条件:1.1 Catalysts: (Pb-7-11-22222)-Pentahydrobis[tris(1-Methylethyl)Phosphine]Iridium Solvents: Toluene; 12 H,150 °C
  标题:Iridium-Catalyzed Selective C-C Bond Cleavage Of Nitriles And Ketones
  作者:Terai,Hiroki; Et Al
  参考文献:Synlett 日期:2004 卷标:(12) 页码:2185-2187]
  
  41401-03-0 = 86-29-3
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Anhydride,1-(Diphenylphosphinyl)-4-Methylpiperazine Solvents: Dichloromethane,1,2-Dichloroethane
  标题:Seeking The Ideal Dehydrating Reagent
  作者:Hendrickson,James B.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1987 卷标:52(18) 页码:4139-40]
  
  41401-03-0 = 86-29-3
  反应条件:1.1 Catalysts: Iron,[2-(Dicyclohexylphosphino-Kp)Phenolato-Ko][(1,2,3,4,5-η)-1,2,3,4,5-Pentame... Solvents: Toluene; 1 H,25 °C
  标题:Bioinspired Iron-Catalyzed Dehydration Of Aldoximes To Nitriles: A General N-O Redox-Cleavage Method
  作者:Gao,Hongjie; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2022 卷标:87(16) 页码:10848-10857]
  
  41401-03-0 = 86-29-3
  反应条件:1.1 Reagents: Triethylamine,4-Nitro-1-[(Trifluoromethyl)Sulfonyl]-1H-Imidazole Solvents: Acetonitrile; 10 Min,Rt
  标题:A Convenient Reagent For The Conversion Of Aldoximes Into Nitriles And Isonitriles
  作者:Zhang,Wei; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2020 卷标:56(46) 页码:6221-6224]
  
  7677-24-9 + 91-01-0 = 86-29-3
  反应条件:1.1 Catalysts: Tris(Pentafluorophenyl)Borane Solvents: Acetonitrile; 55 - 70 Min,Rt
  标题:Synthesis Of α-Aryl Nitriles Through B(C6F5)3-Catalyzed Direct Cyanation Of α-Aryl Alcohols And Thiols
  作者:Rajagopal,Gurusamy; Et Al
  参考文献:Tetrahedron 日期:2009 卷标:65(22) 页码:4351-4355]
  
  7677-24-9 + 91-01-0 = 86-29-3
  反应条件:1.1 Catalysts: Montmorillonite ((Al1.33-1.67Mg0.33-0.67)(Ca0-1Na0-1)0.33Si4(Oh)2O10.Xh2O),Titanium Tetrachloride Solvents: Water; 24 H,50 °C1.2 Solvents: Dichloromethane; Rt; 1.5 H,Rt
  标题:Direct Synthesis Of Nitriles From Alcohols With Trialkylsilyl Cyanide Using Bronsted Acid Montmorillonite Catalysts
  作者:Wang,Jia-Cheng; Et Al
  参考文献:Acs Catalysis 日期:2011 卷标:1(5) 页码:446-454]
  
  1016-09-7 + 7677-24-9 = 86-29-3
  反应条件:1.1 Catalysts: Gold Trichloride Solvents: Dichloromethane; 5 Min,Rt1.2 Solvents: Water; Rt
  标题:Chemoselective And Direct Functionalization Of Methyl Benzyl Ethers And Unsymmetrical Dibenzyl Ethers By Using Iron Trichloride
  作者:Sawama,Yoshinari; Et Al
  参考文献:Chemistry - A European Journal 日期:2014 卷标:20(9) 页码:2631-2636]
  
  56522-24-8 + 14629-59-5 = 86-29-3
  反应条件:1.1 Catalysts: Montmorillonite ((Al1.33-1.67Mg0.33-0.67)(Ca0-1Na0-1)0.33Si4(Oh)2O10.Xh2O),Titanium Tetrachloride Solvents: Water; 24 H,50 °C1.2 Solvents: Dichloromethane; Rt; 1 H,Rt
  标题:Direct Synthesis Of Nitriles From Alcohols With Trialkylsilyl Cyanide Using Bronsted Acid Montmorillonite Catalysts
  作者:Wang,Jia-Cheng; Et Al
  参考文献:Acs Catalysis 日期:2011 卷标:1(5) 页码:446-454]
  
  3963-62-0 = 86-29-3
  反应条件:1.1 Reagents: Ammonia,Oxygen Catalysts: Ferrous Acetate Solvents: 2-Methyl-2-Butanol,Water; 15 H,3 Bar,110 °C
  标题:'Nanorust'-Catalyzed Benign Oxidation Of Amines For Selective Synthesis Of Nitriles
  作者:Jagadeesh,Rajenahally V.; Et Al
  参考文献:Chemsuschem 日期:2015 卷标:8(1) 页码:92-96]
  
  56522-24-8 + 91-01-0 = 86-29-3
  反应条件:1.1 Catalysts: Montmorillonite ((Al1.33-1.67Mg0.33-0.67)(Ca0-1Na0-1)0.33Si4(Oh)2O10.Xh2O),Titanium Tetrachloride Solvents: Water; 24 H,50 °C1.2 Solvents: Dichloromethane; Rt; 0.5 H,Rt
  标题:Direct Synthesis Of Nitriles From Alcohols With Trialkylsilyl Cyanide Using Bronsted Acid Montmorillonite Catalysts
  作者:Wang,Jia-Cheng; Et Al
  参考文献:Acs Catalysis 日期:2011 卷标:1(5) 页码:446-454]
  
  = 86-29-3
  反应条件:1.1 Reagents: Sodium Bis(Trimethylsilyl)Amide Catalysts: Palladium Diacetate,2,8,9-Tris(2-Methylpropyl)-2,5,8,9-Tetraaza-1-Phosphabicyclo[3.3.3]Undecane Solvents: Toluene; 20 Min,Rt1.2 6 H,100 °C1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:P(I-Bunch2Ch2)3N: An Efficient Ligand For The Direct α-Arylation Of Nitriles With Aryl Bromides
  作者:You,Jingsong; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2003 卷标:68(21) 页码:8003-8007]
  
  947-91-1 = 86-29-3
  反应条件:1.1 Reagents: Ammonia,Oxygen Catalysts: Iron Oxide (Fe2O3) (Nitrogen Doped Graphene Activated; Supported On Carbon) Solvents: 2-Methyl-2-Butanol,Water; 24 H,1 Bar,40 °C
  标题:Stable And Reusable Nanoscale Fe2O3-Catalyzed Aerobic Oxidation Process For The Selective Synthesis Of Nitriles And Primary Amides
  作者:Murugesan,Kathiravan; Et Al
  参考文献:Green Chemistry 日期:2018 卷标:20(1) 页码:266-273]
  
  = 86-29-3
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: Tris(Dibenzylideneacetone)Dipalladium,1656288-64-0 Solvents: Toluene; 20 Min,Rt1.2 4 H,80 °C1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:Synergistic Effect Of A Bis(Proazaphosphatrane) In Mild Palladium-Catalyzed Direct α-Arylations Of Nitriles With Aryl Chlorides
  作者:Han Kim,So; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2014 卷标:2014(27) 页码:6025-6029]
  
  = 86-29-3
  反应条件:1.1 Reagents: Sodium Bis(Trimethylsilyl)Amide Catalysts: Palladium Diacetate,2,8,9-Tris(2-Methylpropyl)-2,5,8,9-Tetraaza-1-Phosphabicyclo[3.3.3]Undecane Solvents: Toluene; 20 Min,Rt1.2 6 H,90 °C1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:A General Method For The Direct α-Arylation Of Nitriles With Aryl Chlorides
  作者:You,Jingsong; Et Al
  参考文献:Angewandte Chemie 日期:2003 卷标:42(41) 页码:5051-5053]
  
  90-99-3 = 86-29-3
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: 18-Crown-6 Solvents: Acetonitrile
  标题:Cyanation Of Halides With Acetone Cyanohydrin
  作者:Shapiro,E. A.; Et Al
  参考文献:Izvestiya Akademii Nauk Sssr 日期:1989 卷标:(11) 页码:2647-8]
  
  57-12-5 + 79373-25-4 + 10549-76-5 = 86-29-3
  反应条件:1.1 Reagents: 2,3-Dichloro-5,6-Dicyano-1,4-Benzoquinone,Triphenylphosphine Solvents: Acetonitrile; 6.5 H,Reflux
  标题:Efficient Conversion Of Tetrahydropyranyl (Thp) Ethers To Their Corresponding Cyanides With Triphenylphosphine/2,3-Dichloro-5,6-Dicyanobenzoquinone/n-Bu4Ncn
  作者:Akhlaghinia,Batool
  参考文献:Phosphorus 日期:2004 卷标:179(9) 页码:1783-1786]
  
  57-12-5 + 10549-76-5 + 91-01-0 = 86-29-3
  反应条件:1.1 Reagents: Cyanuric Chloride Solvents: Acetonitrile; 22 H,Reflux
  标题:A New And Convenient Method Of Generating Alkyl Cyanides From Alcohols And Thiols Using 2,4,6-Trichloro[1,3,5]Triazine/n-Bu4Ncn
  作者:Akhlaghinia,Batool; Et Al
  参考文献:Letters In Organic Chemistry 日期:2005 卷标:2(8) 页码:725-730

海关参考信息

• 2902600000-乙苯
  2926909090-其他腈基化合物
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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