CAS: 947-84-2; [1,1'-Biphenyl]-2-Carboxylic Acid

• 英文名称[1,1'-Biphenyl]-2-Carboxylic Acid
• 中文名称邻苯基苯甲酸
• IUPAC名称[1,1'-biphenyl]-2-carboxylic acid
• 其它别名1,1'-Biphenyl, 2-Carboxylic Acid; Biphenyl Carboxylic Acid; Biphenylcarboxylic Acid-(2); Pralidoximi Iodidum; Phenylbenzoic Acid; 2-
• CAS编号947-84-2
• MFCD编号:MFCD00002463
• EINECS号:213-432-1
• 分子式:C13H10O2
• 分子量:198.22
• 产品CID: 2000236
• 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
• 产品信息参考;;
• InChIKey: ILYSAKHOYBPSPC-UHFFFAOYSA-N
• InChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数2.0

物理性质

• 熔点111-113°C
• 沸点199 °C at 10 mmHg
• 闪点159.1±13.9 °C
• 密度1.2±0.1 g/cm3
• pKa:3.46(at 25°C)
• PSA:37.3
• LogP:3.0518
• 折射率1.607
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性Insoluble
• 敏感性常温常压下稳定，避免氧化物 碱接触
• 外观形态白色至米色结晶粉末
• 储存条件密封, 常温干燥保存

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述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.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-36-37/39-37
• 危险类别码36/37/38
• WGK Germany3

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 2-Biphenylcarboxylic Acid 主要起始原料 2-Iodobenzoic Acid And Phenylboronic Acid
• 362-59-4 = 947-84-2
  反应条件:1.1 Catalysts: Alumina; Rt -> 250 °C
  标题:Aluminum Oxide Mediated C-F Bond Activation In Trifluoromethylated Arenes
  作者:Papaianina,O.; Amsharov,K. Yu.
  参考文献:Chemical Communications (Cambridge 日期:2016 卷标:52(7) 页码:1505-1508]
  
  137600-74-9 = 947-84-2
  反应条件:1.1 Reagents: Methanol,Sodium Hydride Solvents: Toluene1.2 Solvents: Hexamethylphosphoramide1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:Convenient Synthesis Of Biphenyl-2-Carboxylic Acids Via The Nucleophilic Aromatic Substitution Reaction Of 2-Methoxybenzoates With Aryl Grignard Reagents
  作者:Hattori,Tetsutaro; Suzuki,Takatsugu; Hayashizaka,Noriyuki; Koike,Nobuyuki; Miyano,Sotaro
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1993 卷标:66(10) 页码:3034-40]
  
  486-25-9 = 947-84-2
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Toluene,Water; Rt -> 105 °C; 20 S,105 °C; 105 °C -> 124 °C; 1 S,120 °C; 120 °C -> 50 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3
  标题:Preparation Of Boscalid
  参考文献:China]
  
  486-25-9 = 947-84-2
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Tetrahydrofuran; 25 °C; 1 H,25 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2
  标题:Preparation Of Boscalid Intermediate 2-(4'-Chlorophenyl)Aniline
  参考文献:China]
  
  98-80-6 + 88-65-3 = 947-84-2
  反应条件:1.1 Reagents: Sodium Methoxide Catalysts: (Sp-4-1)-Dibromobis[methyl 6-Deoxy-6-(3-Ethyl-2,3-Dihydro-1H-Imidazol-1-Yl-Kc2)-... Solvents: Water; 15 H,100 °C
  标题:Glucopyranoside-Incorporated N-Heterocyclic Carbene Complexes Of Silver(I) And Palladium(Ii): Efficient Water-Soluble Suzuki-Miyaura Coupling Palladium(Ii) Catalysts
  作者:Yang,Chien-Chan; Lin,Pei-Syuan; Liu,Fu-Chen; Lin,Ivan J.-B.; Lee,Gene-Hsian; Et Al
  参考文献:Organometallics 日期:2010 卷标:29(22) 页码:5959-5971]
  
  486-25-9 = 947-84-2
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Xylene1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Preparation Of Biphenyl-2-Carboxylic Acid From Fluorenone
  参考文献:Japan]
  
  98-80-6 + 88-65-3 = 947-84-2
  反应条件:1.1 Reagents: Calcium Hydroxide,Magnesium Hydroxide,Potassium Hydroxide,Barium Hydroxide Catalysts: L-Arginine (Modified With Carbon-Coated Iron Oxide),Iron Oxide (Fe3O4) (Carbon-Coated,Modified With Arginine),Palladium,Carbon,Copper Solvents: Water; 1.5 H,Rt
  标题:Highly Dispersed Copper/ppm Palladium Nanoparticles As Novel Magnetically Recoverable Catalyst For Suzuki Reaction Under Aqueous Conditions At Room Temperature
  作者:Lamei,Kamran; Eshghi,Hossein; Bakavoli,Mehdi; Rostamnia,Sadegh
  参考文献:Applied Organometallic Chemistry 日期:2017 卷标:31(11)]
  
  13234-79-2 = 947-84-2
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; 24 H,120 °C; 120 °C -> Rt1.2 Reagents: Water; Rt
  标题:Palladium-Catalyzed Ortho-Arylation Of Benzamides Via Direct Sp2 C-H Bond Activation
  作者:Li,Dan-Dan; Yuan,Ting-Ting; Wang,Guan-Wu
  参考文献:Journal Of Organic Chemistry 日期:2012 卷标:77(7) 页码:3341-3347]
  
  88-67-5 + 639-58-7 = 947-84-2
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: 1892526-21-4 Solvents: Polyethylene Glycol; 16 Min,90 °C
  标题:Bis[(2-Methylacetatobenzyl)Tri(P-Tolyl)Phosphonium]Hexabromodipalladate(Ii); Synthesis,Characterization,Structural Study And Application As A Retrievable Heterogeneous Catalyst For The Amination Of Aryl Halides And Stille Cross-Coupling Reaction
  作者:Ghorbani-Choghamarani,Arash; Naghipour,Ali; Heidarizadi,Fateme; Shirkhani,Roghayeh; Notash,Behrouz
  参考文献:Inorganica Chimica Acta 日期:2016 卷标:446 页码:97-102]
  
  486-25-9 = 947-84-2
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Toluene; 30 Min,105 °C; 3 H,105 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1
  标题:Preparation Of 4'-Chloro-2-Aminobiphenyl Sulfate
  参考文献:China]
  
  486-25-9 = 947-84-2
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Toluene; 20 Min,115 - 120 °C; 0.5 H,115 - 120 °C
  标题:Process For Preparation Of Biphenyl-2-Carboxylic Acid
  参考文献:China]
  
  486-25-9 = 947-84-2
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Toluene; 20 Min,112 °C; 30 Min,112 °C; Cooled1.2 Reagents: Sulfuric Acid Solvents: Water; Neutralized
  标题:Method For Preparing 2-Hydroxybiphenyl Compounds
  参考文献:China]
  
  98-80-6 + 88-65-3 = 947-84-2
  反应条件:1.1 Catalysts: Palladium Diacetate,Poly(Oxy-1,2-Ethanediyl),α-[2-(Diphenylphosphino)Ethyl]-ω-Methoxy- Solvents: Water; 30 Min,Rt1.2 Reagents: Triethylamine; 60 Min,Rt
  标题:Process For Preparation Of Biaryl Compounds Via Suzuki Cross-Coupling Reaction In Water
  参考文献:China]
  
  98-80-6 + 88-65-3 = 947-84-2
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium Diacetate,N-(2-Methylphenyl)-P,P-Diphenylphosphinous Amide Solvents: Tetrahydrofuran; 48 H,Reflux
  标题:Preparation Of Phosphoramide-Transition Metal Complex Catalysts And Application In Formation Of C-C And C-N Bond
  参考文献:China]
  
  486-25-9 = 947-84-2 [标题:Reaction Conditions
  标题:Reactions Of Hydroxylamine Derivatives In Polyphosphoric Acid
  作者:Padegimas,Stanley J.
  参考文献:1970]
  
  98-80-6 + 88-65-3 = 947-84-2
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Water; 1.5 H,50 °C
  标题:Highly Dispersed Palladium Nanoparticle-Loaded Magnetic Catalyst (Fes@ep-Ag-Pd) For Suzuki Reaction In Water
  作者:Sarvi,Iraj; Gholizadeh,Mostafa; Izadyar,Mohammad
  参考文献:Catalysis Letters 日期:2017 卷标:147(5) 页码:1162-1171]
  
  486-25-9 = 947-84-2
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Diphenyl Ether; 6 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2
  标题:A Process For Preparing 2-Aminobiphenyl Derivatives
  参考文献:China]
  
  88-67-5 + 98-80-6 = 947-84-2
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol,Water; Rt; 8 H,80 °C1.2 Reagents: Potassium Carbonate Catalysts: Dichlorobis(Triphenylphosphine)Palladium Solvents: 1,4-Dioxane,Water; 12 H,100 °C1.3 Reagents: Lithium Hydroxide Solvents: Methanol,Tetrahydrofuran,Water; 8 H,70 °C; 70 °C -> Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 1
  标题:Mechanochemical-Cascaded C-N Cross-Coupling And Halogenation Using N-Bromo- And N-Chlorosuccinimide As Bifunctional Reagents
  作者:Bera,Shyamal Kanti; Mal,Prasenjit
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(20) 页码:14144-14159]
  
  88-67-5 + 98-80-6 = 947-84-2
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: Silica; 25 Min,80 °C
  标题:Copper-Functionalized Silica-Coated Magnetic Nanoparticles For An Efficient Suzuki Cross-Coupling Reaction
  作者:Sonei,Samin; Taghavi,Faezeh; Khojastehnezhad,Amir; Gholizadeh,Mostafa
  参考文献:Chemistryselect 日期:2021 卷标:6(3) 页码:359-368]
  
  88-67-5 + 98-80-6 = 947-84-2
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium,2-Hydroxy-3-(Trimethylammonio)Propyl Cellulose Ether Chloride Solvents: Dimethylformamide; 4 H,110 °C
  标题:Cationic Cellulose Nanofibrils As A Green Support Of Palladium Nanoparticles: Catalyst Evaluation In Suzuki Reactions
  作者:Jebali,Zayneb; Granados,Albert; Nabili,Abdelkader; Boufi,Sami; Do Rego,Ana Maria B.; Et Al
  参考文献:Cellulose (Dordrecht 日期:2018 卷标:25(12) 页码:6963-6975

海关参考信息

• 2905110000-甲醇
  2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
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