CAS: 89827-45-2; 4-Bromodibenzo[b,D]Furan

• 英文名称4-Bromodibenzo[b,D]Furan
• 中文名称4-溴二苯并呋喃
• IUPAC名称4-bromodibenzo[b,d]furan
• 其它别名4-溴二苯并[b,D]呋喃; 4-Bromo-Dibenzofuran
• CAS编号89827-45-2
• MFCD编号:MFCD00185685
• EINECS号:804-402-4
• 分子式:C12H7BrO
• 分子量:247.09
• 产品CID: 1920042
• 产品分类有机原料→分子砌块→芳杂环类化合物→氧芴类化合物

• 相似结构搜索
• InChIKey: DYTYBRPMNQQFFL-UHFFFAOYSA-N
• InChI=1S/C12H7BrO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数0.0

物理性质

• 熔点67-73°C
• 沸点343.8±15.0°C at 760 mmHg
• 闪点161.7±20.4°C
• 密度1.577
• PSA:13.14
• LogP:4.3485
• 外观形态白色至淡黄色粉末至晶体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物是商业上可买到的有机合成物.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  严重眼刺激 类别2
  水生慢性毒性 类别4
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  水生慢性毒性 类别3
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H319 |造成严重眼刺激.
  H413 |可能对水生生物造成长期有害影响.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H412 |对水生生物有害并具有长期持续影响.
• 防范说明P264-P270-P273-P280-P330-P501
• UN编号NONH for all modes of transport
• 危险品标志Xn
• 安全声明26
• 危险类别码22-36-53
• 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 4-Bromodibenzofuran 主要起始原料 Dibenzofuran-4-Boronic Acid
• 100124-06-9 = 89827-45-2
  反应条件:1.1 Reagents: Copper Bromide (Cubr2) Catalysts: Tetrabutylammonium Bromide Solvents: Water; 5 - 12 H,100 °C
  标题:Direct Bromodeboronation Of Arylboronic Acids With Cubr2 In Water
  作者:Tang,Yan-Ling; Xia,Xian-Song; Gao,Jin-Chun; Li,Min-Xin; Mao,Ze-Wei
  参考文献:Tetrahedron Letters 日期:2021 卷标:64]
  
  1424386-19-5 = 89827-45-2
  反应条件:1.1 Reagents: Trifluoroacetic Acid,Sodium Nitrite Solvents: Water; 3 H,70 °C
  标题:Transition-Metal-Free Direct Arylation: Synthesis Of Halogenated 2-Amino-2'-Hydroxy-1,1'-Biaryls And Mechanism By Dft Calculations
  作者:Gao,Hongyin; Ess,Daniel H.; Yousufuddin,Muhammed; Kurti,Laszlo
  参考文献:Journal Of The American Chemical Society 日期:2013 卷标:135(19) 页码:7086-7089]
  
  917477-33-9 = 89827-45-2
  反应条件:1.1 Reagents: Acetic Anhydride,Potassium Iodide Catalysts: [(1,2,5,6-η)-1,5-Cyclooctadiene](2,4-Pentanedionato-Ko2,Ko4)Rhodium; 20 H,160 °C
  标题:Rhodium-Catalyzed Decarbonylative C-H Arylation Of 2-Aryloxybenzoic Acids Leading To Dibenzofuran Derivatives
  作者:Maetani,Shinji; Fukuyama,Takahide; Ryu,Ilhyong
  参考文献:Organic Letters 日期:2013 卷标:15(11) 页码:2754-2757]
  
  132-64-9 = 89827-45-2
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; 2 Min,-40 °C; -40 °C -> Rt; 2 H,Rt; Rt -> -78 °C1.2 Reagents: 1,2-Dibromoethane Solvents: Tetrahydrofuran; 30 Min,-78 °C; 1.5 H,-78 °C -> Rt; Rt -> 0 °C1.3 Reagents: Ammonium Chloride Solvents: Water; 0 °C
  标题:Hat Catalysts To Facilitate Acid Mediated Cleavage Of Biaryl C-C Bonds In Binaphthols
  作者:Sojdak,Christopher A.; Kozlowski,Marisa C.
  参考文献:Organic Letters 日期:2022 卷标:24(45) 页码:8326-8330]
  
  100124-06-9 = 89827-45-2
  反应条件:1.1 Reagents: Sodium Bromide,1-Butanaminium,N,N,N-Tributyl-,Acetate,Compd. With Acetic Acid (1:1:1) Solvents: Methanol; 4 H,40 °C
  标题:Transition Metal-Free Electrocatalytic Halodeborylation Of Arylboronic Acids With Metal Halides Mx (X = I,Br) To Synthesize Aryl Halides
  作者:Fu,Zhengjiang; Hao,Guangguo; Fu,Yaping; He,Dongdong; Tuo,Xun; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2020 卷标:7(3) 页码:590-595]
  
  132-64-9 = 89827-45-2
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; 30 Min,-40 °C; -40 °C -> Rt; 2 H,Rt; Rt -> -78 °C1.2 Reagents: 1,2-Dibromoethane Solvents: Tetrahydrofuran; 30 Min,-78 °C -> Rt; 2 H,Rt
  标题:Green-Blue Emitters: Nhc-Based Cyclometalated [pt(C%c*)(Acac)] Complexes
  作者:Unger,Yvonne; Meyer,Dirk; Molt,Oliver; Schildknecht,Christian; Muenster,Ingo; Et Al
  参考文献:Angewandte Chemie 日期:2010 卷标:49(52) 页码:10214-10216]
  
  132-64-9 = 89827-45-2
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran; 0.5 H,-40 °C; 2 H,25 °C1.2 Reagents: Bromine Solvents: Chloroform; 0.5 H,-78 °C; 2 H,25 °C
  标题:Regioselective Arene Homologation Through Rhenium-Catalyzed Deoxygenative Aromatization Of 7-Oxabicyclo[2.2.1]Hepta-2,5-Dienes
  作者:Murai,Masahito; Ogita,Takuya; Takai,Kazuhiko
  参考文献:Chemical Communications (Cambridge 日期:2019 卷标:55(16) 页码:2332-2335

专利信息

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