CAS: 942-01-8; 2,3,4,9-Tetrahydro-1H-Carbazole

• 英文名称2,3,4,9-Tetrahydro-1H-Carbazole
• 中文名称1,2,3,4-四氢咔唑
• IUPAC名称2,3,4,9-tetrahydro-1H-carbazole
• 其它别名Carbazole,1,2,3,4-tetrahydro- (6CI,7CI,8CI); 1,2,3,4-Tetrahydro-9H-carbazole; 1,2,3,4-Tetrahydr°Carbazole; 1H-Indole, 2,3-(1,4-butanediyl)-; 2,3,4,9-Tetrahydro-1H-carbazole; 2,3,4,9-Tetrahydro-1H-carbazole; 2,3-Tetramethylene-1H-indole; 2,3-Tetramethyleneindole; 5,6,7,8-Tetrahydro-9H-carbazole
• CAS编号942-01-8
• MFCD编号:MFCD00004959
• EINECS号:213-385-7
• FDA UNII编号:8ZLK0TSX93
• 分子式:C12H13N
• 分子量:171.24
• 产品CID: 1990160
• 产品分类有机原料→分子砌块→芳杂环类化合物→吲哚类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: XKLNOVWDVMWTOB-UHFFFAOYSA-N
• InChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2…
• 计算化学: 氢键受体数0.0氢键供体数1.0可旋转键数0.0

物理性质

• 熔点118-120°C
• 沸点325-330°C at 760 mmHg
• 闪点142.1±11.9 °C
• 密度1.2±0.1 g/cm3
• pKa:17.84±0.20(预测)
• PSA:15.79
• LogP:3.0467
• 折射率1.666
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Insoluble In Water. Solubility In Methanol (Almost Transparency).
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态白色至橙色至绿色粉末至晶体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于制备:通过光氧化制成的SPIRO[环戊1, 2-因多林-3-ONE]. 9-ACYL-1, 2, 3, 4-TETRA氢氯乙烷, N-子宫反应;通过催化的不对称氢化反应制成碳氨.

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-P271-P280-P302+P352-P304+P340-P362-P405-P501
• 危险品标志Xi
• 安全声明26-37/39
• 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

• 765-87-7 = 942-01-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Stereoisomer Of [1,1′-(1S)-[1,1′-Binaphthalene]-2,2′-Diylbis[1,1-Diphenylphosphi... Solvents: Dichloromethane; 24 H,800 Psi,120 °C
  标题:[(S)-Binap]Pdbr2-Catalyzed Direct Synthesis Of 2,3-Disubstituted Indoles Via A Tandem Reaction Between Arylamines And α-Diketones
  作者:Cabrera,A.; Sharma,P.; Ayala,M.; Rubio-Perez,L.; Amezquita-Valencia,Manuel
  参考文献:Tetrahedron Letters 日期:2011 卷标:52(50) 页码:6758-6762]
  
  = 942-01-8
  反应条件:1.1 Solvents: Acetic Acid
  标题:Applications Of Microwave Accelerated Organic Chemistry
  作者:Majetich,G.; Hicks,R.
  参考文献:Research On Chemical Intermediates 日期:1994 卷标:20(1) 页码:61-77]
  
  = 942-01-8
  反应条件:1.1 140 H,2.5 Mpa
  标题:Microwave Green Organic Chemistry: Aiming For A Desktop Plant
  作者:Mase,Nobuyuki; Takeda,Kazuhiro; Sato,Kohei
  参考文献:Kemikaru Enjiniyaringu 日期:2019 卷标:64(6) 页码:395-402]
  
  = 942-01-8
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Catalysts: 1,1-Bis(Diphenylphosphino)Ferrocene,Triruthenium Dodecacarbonyl Solvents: 1,4-Dioxane; 22 H,150 °C
  标题:Ruthenium-Catalyzed Synthesis Of Indoles From Anilines And Epoxides
  作者:Pena-Lopez,Miguel; Neumann,Helfried; Beller,Matthias
  参考文献:Chemistry - A European Journal 日期:2014 卷标:20(7) 页码:1818-1824]
  
  59-88-1 = 942-01-8
  反应条件:1.1 Catalysts: Cyanuric Chloride Solvents: Ethanol; 2 H,80 °C; 80 °C -> Rt
  标题:Mild,Efficient Fischer Indole Synthesis Using 2,4,6-Trichloro-1,3,5-Triazine (Tct)
  作者:Siddalingamurthy,Eranna; Mahadevan,Kittappa M.; Masagalli,Jagadeesh N.; Harishkumar,Hosanagara N.
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(41) 页码:5591-5596]
  
  = 942-01-8
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid Monohydrate,(Oc-6-13)-Carbonyl[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Ethyl]Eth... Solvents: 1,4-Dioxane; 30 H,150 °C
  标题:Benign Synthesis Of Indoles From Anilines And Epoxides: New Application For Ruthenium Pincer Catalysts
  作者:Monney,Angele; Pena-Lopez,Miguel; Beller,Matthias
  参考文献:Chimia 日期:2014 卷标:68(4) 页码:231-234]
  
  = 942-01-8
  反应条件:1.1 Catalysts: Propylphosphonic Anhydride Solvents: Ethyl Acetate; 5 Min,100 °C
  标题:A Microwave-Assisted,Propylphosphonic Anhydride (T3P) Mediated One-Pot Fischer Indole Synthesis
  作者:Desroses,Matthieu; Wieckowski,Krzysztof; Stevens,Marc; Odell,Luke R.
  参考文献:Tetrahedron Letters 日期:2011 卷标:52(34) 页码:4417-4420]
  
  = 942-01-8
  反应条件:1.1 Reagents: Potassium Tert-Butoxide,Sulfuric Acid Magnesium Salt (1:1) Catalysts: (Sp-4-2)-[1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Yliden... Solvents: Toluene; 10 H,100 °C
  标题:Well-Defined Nhc-Pd Complex-Mediated Intermolecular Direct Annulations For Synthesis Of Functionalized Indoles (Nhc = N-Hetero-Cyclic Carbene)
  作者:Jin,Zhong; Guo,Su-Xian; Qiu,Ling-Ling; Wu,Gui-Ping; Fang,Jian-Xin
  参考文献:Applied Organometallic Chemistry 日期:2011 卷标:25(7) 页码:502-507]
  
  557086-51-8 = 942-01-8
  反应条件:1.1 120 °C
  标题:The First Method For Protection-Deprotection Of The Indole 2,3-π Bond
  作者:Baran,Phil S.; Guerrero,Carlos A.; Corey,E. J.
  参考文献:Organic Letters 日期:2003 卷标:5(11) 页码:1999-2001]
  
  946-82-7 = 942-01-8
  反应条件:1.1 Solvents: Formic Acid
  标题:Fischer Cyclizations By Microwave Heating
  作者:Abramovitch,Rudolph A.; Bulman,Amanda
  参考文献:Synlett 日期:1992 卷标:(10) 页码:795-6]
  
  59-88-1 = 942-01-8
  反应条件:1.1 Reagents: Acetic Acid Solvents: Water; 90 °C; 1 H,120 °C
  标题:Process For Preparation Of Carbazole By Using Zircon Sand Catalyst
  参考文献:China]
  
  = 942-01-8
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol; Rt -> Reflux1.2 Solvents: Methanol; 0.5 - 1 H,Reflux; 1 H,Reflux
  标题:Environmentally Friendly Method For Preparing High-Purity Tetrahydrocarbazole
  参考文献:China]
  
  1131890-57-7 = 942-01-8
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 0 °C; 12 H,0 °C -> Reflux; Reflux -> Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Modular Synthesis Of Indoles From Imines And O-Dihaloarenes Or O-Chlorosulfonates By A Pd-Catalyzed Cascade Process
  作者:Barluenga,Jose; Jimenez-Aquino,Agustin; Aznar,Fernando; Valdes,Carlos
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(11) 页码:4031-4041]
  
  = 942-01-8
  反应条件:1.1 Catalysts: Sulfuric Acid,Monopotassium Salt,Monohydrate (Impregnated On Silica); 0.83 H
  标题:Khso4.H2O/sio2-Catalyzed,One-Pot,Solvent-Free Synthesis Of Pyrazolines,Tetrahydrocarbazoles And Indoles Using Microwave Irradiation
  作者:Kapoor,Kamal K.; Ganai,Bilal A.; Kumar,Satish; Andotra,Charanjeet S.
  参考文献:Synthetic Communications 日期:2006 卷标:36(18) 页码:2727-2735]
  
  1775-86-6 = 942-01-8
  反应条件:1.1 Catalysts: Copper Solvents: Dimethylformamide; 10 H,120 °C
  标题:Copper Nanoparticles From Copper Aluminum Hydrotalcite: An Efficient Catalyst For Acceptor- And Oxidant-Free Dehydrogenation Of Amines And Alcohols
  作者:Damodara,Dandu; Arundhathi,Racha; Likhar,Pravin R.
  参考文献:Advanced Synthesis & Catalysis 日期:2014 卷标:356(1) 页码:189-198]
  
  = 942-01-8
  反应条件:1.1 Catalysts: Acetic Acid,Trifluoroacetic Acid Solvents: Ethanol; 14 Min,50 °C
  标题:Improved Synthesis Of 1,2,3,4-Tetrahydrocarbazoles Under Ultrasonic Irradiation
  作者:Surendiran,T.; Balasubramanian,S.; Sivaraj,D.
  参考文献:Organic Chemistry: An Indian Journal 日期:2008 卷标:4(9-11) 页码:478-481]
  
  = 942-01-8
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Tetrahydrofuran; 18 H,Rt
  标题:2,3-Disubstituted Indoles From Olefins And Hydrazines Via Tandem Hydroformylation-Fischer Indole Synthesis And Skeletal Rearrangement
  作者:Linnepe,Petra; Schmidt,Axel M.; Eilbracht,Peter
  参考文献:Organic & Biomolecular Chemistry 日期:2006 卷标:4(2) 页码:302-313]
  
  4828-96-0 = 942-01-8
  反应条件:1.1 Catalysts: Hydroxylapatite (Ca5(Oh)(Po4)3),Palladium Solvents: Water; 3 H,110 °C
  标题:Highly Efficient Dehydrogenation Of Indolines To Indoles Using Hydroxyapatite-Bound Pd Catalyst
  作者:Hara,Takayoshi; Mori,Kohsuke; Mizugaki,Tomoo; Ebitani,Kohki; Kaneda,Kiyotomi
  参考文献:Tetrahedron Letters 日期:2003 卷标:44(33) 页码:6207-6210]
  
  59-88-1 = 942-01-8
  反应条件:1.1 Catalysts: Montmorillonite ((Al1.33-1.67Mg0.33-0.67)(Ca0-1Na0-1)0.33Si4(Oh)2O10.Xh2O) Solvents: Ethanol; 1 H,Reflux
  标题:Application And Comparison Of The Catalytic Activity Of Fe3O4 Mnps,Kaolin And Montmorillonite K10 For The Synthesis Of Indole Derivatives
  作者:Nami,Navabeh; Tajbakhsh,Mahmoud; Vafakhah,Mohamad
  参考文献:Eurasian Chemical Communications 日期:2019 卷标:1(1) 页码:93-101]
  
  = 942-01-8
  反应条件:1.1 Catalysts: Montmorillonite ((Al1.33-1.67Mg0.33-0.67)(Ca0-1Na0-1)0.33Si4(Oh)2O10.Xh2O) Solvents: Ethanol; 1 H,Reflux
  标题:Application And Comparison Of The Catalytic Activity Of Fe3O4 Mnps,Kaolin And Montmorillonite K10 For The Synthesis Of Indole Derivatives
  作者:Nami,Navabeh; Tajbakhsh,Mahmoud; Vafakhah,Mohamad
  参考文献:Iranian Chemical Communication 日期:2019 卷标:7(1) 页码:93-101

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