CAS: 95-15-8; Thianaphthene

• 英文名称Thianaphthene
• 中文名称苯并[b]噻吩
• IUPAC名称benzo[b]thiophene
• 其它别名硫茚; Thionaphthene
• CAS编号95-15-8
• MFCD编号:MFCD00005864
• EINECS号:202-395-7
• 分子式:C8H6S
• 分子量:134.2
• 产品CID: 2003736
• 产品分类有机原料→分子砌块→芳杂环类化合物→苯并噻吩类化合物

• 相似结构搜索
• 产品信息参考;
• InChIKey: FCEHBMOGCRZNNI-UHFFFAOYSA-N
• InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H…
• 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30-33°C
• 沸点221-222°C at 760 mmHg
• 闪点62.0±4.9 °C
• 密度1.2±0.1 g/cm3
• pKa:32.4
• PSA:0.0
• LogP:2.9013
• 折射率1.675
• 蒸汽压0.2±0.4 mmHg at 25°C
• 溶解性0.13G/l
• 敏感性溶于浓硫酸呈樱桃红色，加热后消失。易发生磺化反应。在光和空气中暴露会变成淡褐色。避免与氧化物接触。
• 外观形态白色至粉红色或黄色结晶性固体
• 储存条件存储低于 +30°C.
• 产品应用该化合物用于通过正-丁基锂的金属化来制备2-三甲基苯基苯丁.
• 性质描述熔点30-33°C,沸点221-222°C,密度1.149g/mLat25°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS09;
  注释: Exclamation mark & Environment
• 危险类别急性毒性 类别4(经口)
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  水生慢性毒性 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H411 |对水生生物有毒并具有长期持续影响.
• 防范说明P264-P270-P273-P330-P501
• 危险等级9
• UN编号3077.0
• 危险品标志Xn,Xi,N
• 风险等级Irritant
• 包装等级Ⅲ
• 安全声明22-24/25-36-26-61
• 危险类别码22-36/37/38-20/21/22-51/53
• 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 Thianaphthene 主要起始原料 Thianaphthene-2-Carboxylic Acid
• 119873-69-7 + 119873-70-0 = 95-15-8
  反应条件:1.1 Solvents: Dichloromethane
  标题:Photolysis Of β-[o-(Methylthio)Phenyl]Vinyl Bromides. A Versatile Synthesis Of Benzo[b]Thiophenes
  作者:Kitamura,Tsugio; Kobayashi,Shinjiro; Taniguchi,Hiroshi
  参考文献:Chemistry Letters 日期:1988 卷标:(10) 页码:1637-8]
  
  45752-18-9 + 14874-70-5 = 95-15-8
  反应条件:1.1 Solvents: Dimethylformamide; 1 H,130 °C
  标题:Palladium-Catalyzed Synthesis Of 2,3-Disubstituted Benzothiophenes Via The Annulation Of Aryl Sulfides With Alkynes
  作者:Masuya,Yoshihiro; Tobisu,Mamoru; Chatani,Naoto
  参考文献:Organic Letters 日期:2016 卷标:18(17) 页码:4312-4315]
  
  51500-42-6 = 95-15-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Ruthenium (Supported On Tio2) Solvents: 1,4-Dioxane; 1 H,1 Atm,100 °C
  标题:Hydrogenation Of Sulfoxides To Sulfides Under Mild Conditions Using Ruthenium Nanoparticle Catalysts
  作者:Mitsudome,Takato; Takahashi,Yusuke; Mizugaki,Tomoo; Jitsukawa,Koichiro; Kaneda,Kiyotomi
  参考文献:Angewandte Chemie 日期:2014 卷标:53(32) 页码:8348-8351]
  
  4923-87-9 = 95-15-8
  反应条件:1.1 Reagents: Triethylamine,Hydrogen Catalysts: Nickel Solvents: Methanol,Water; 5 - 10 Bar; 20 H,20 - 30 Bar,45 - 130 °C
  标题:A Convenient And Stable Heterogeneous Nickel Catalyst For Hydrodehalogenation Of Aryl Halides Using Molecular Hydrogen
  作者:Leonard,David K.; Ryabchuk,Pavel; Anwar,Muhammad; Dastgir,Sarim; Junge,Kathrin; Et Al
  参考文献:Chemsuschem 日期:2022 卷标:15(5)]
  
  33775-94-9 = 95-15-8
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Dimethyl Sulfoxide; 26 H,25 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Potassium Hydroxide/dimethyl Sulfoxide Superbase-Promoted Transition Metal-Free Synthesis Of 2-Substituted Benzothiophenes Under Visible Light
  作者:Gao,Li; Chang,Bin; Qiu,Wenzhao; Wang,Lele; Fu,Xianzhi; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2016 卷标:358(8) 页码:1202-1207]
  
  6314-28-9 = 95-15-8
  反应条件:1.1 Catalysts: Quinoline,Copper
  标题:Preparation Of Benzo[b]Thiophenes From Benzo[b]Thiophene-2-Carboxylic Acids
  参考文献:Japan]
  
  7342-82-7 = 95-15-8
  反应条件:1.1 Catalysts: Palladium Chloride Solvents: Water; 2 Min,Rt1.2 Reagents: 1,1,3,3-Tetramethyldisiloxane; Rt; Rt
  标题:Ligand-Free,Palladium-Catalyzed Dihydrogen Generation From Tmds: Dehalogenation Of Aryl Halides On Water
  作者:Bhattacharjya,Anish; Klumphu,Piyatida; Lipshutz,Bruce H.
  参考文献:Organic Letters 日期:2015 卷标:17(5) 页码:1122-1125]
  
  6314-28-9 = 95-15-8
  反应条件:1.1 Catalysts: [1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-2-Imidazolidinylidene](Tricyclo[3.3.1.13,... Solvents: Toluene; 16 H,120 °C
  标题:Gold(I)-Catalyzed Protodecarboxylation Of (Hetero)Aromatic Carboxylic Acids
  作者:Dupuy,Stephanie; Nolan,Steven P.
  参考文献:Chemistry - A European Journal 日期:2013 卷标:19(42) 页码:14034-14038]
  
  98437-23-1 = 95-15-8
  反应条件:1.1 Reagents: Water Catalysts: [1,1,1-Trifluoro-N-[(Trifluoromethyl)Sulfonyl]Methanesulfonamidato-Kn](Triphenyl... Solvents: Dimethyl Carbonate; 1 H,90 °C
  标题:Gold-Catalyzed Proto- And Deuterodeboronation
  作者:Barker,Graeme; Webster,Stacey; Johnson,David G.; Curley,Rachel; Andrews,Matthew; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2015 卷标:80(20) 页码:9807-9816]
  
  7342-82-7 = 95-15-8
  反应条件:1.1 Reagents: Hydrogen,1,8-Diazabicyclo[5.4.0]Undec-7-Ene Catalysts: 2511739-39-0 Solvents: Dimethyl Sulfoxide; 12 H,1 Atm,80 °C
  标题:Radical Hydrodehalogenation Of Aryl Halides With H2 Catalyzed By A Phenanthroline-Based Pnnp Cobalt(I) Complex
  作者:Jheng,Nai-Yuan; Ishizaka,Yusuke; Naganawa,Yuki; Minami,Yasunori; Sekiguchi,Akira; Et Al
  参考文献:Acs Catalysis 日期:2022 卷标:12(4) 页码:2320-2329]
  
  51500-42-6 = 95-15-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Ruthenium,Titania Solvents: 1,4-Dioxane; 1 H,1 Atm,100 °C
  标题:Catalyst For Deoxidization Of Sulfoxide,And Method For Manufacturing Sulfide Using Catalyst For Deoxidization
  参考文献:Japan]
  
  7342-82-7 = 95-15-8
  反应条件:1.1 Reagents: Tetrabutylammonium Bromide Catalysts: Nickel Alloy,Base,Ni 95,Ag 5 Solvents: Water; 10 H,60 °C
  标题:Preparation Of A Cost-Effective Ni-Ag Bimetallic Catalyst For Hydrodehalogenation Of Aryl Halides Under Mild Conditions
  作者:Deng,Jiazhu; Xue,Teng; Wu,Haihong; Wu,Peng
  参考文献:New Journal Of Chemistry 日期:2022 卷标:46(25) 页码:12169-12176]
  
  7342-86-1 = 95-15-8
  反应条件:1.1 Reagents: N,N,N′,N′-Tetramethylethylenediamine,Sodium Borohydride Catalysts: (Sp-4-2)-[1,1′-Bis[bis(1,1-Dimethylethyl)Phosphino-Kp]Ferrocene]Dichloropalladiu... Solvents: Tetrahydrofuran; 8 H,65 °C
  标题:Nabh4-Tmeda And A Palladium Catalyst As Efficient Regio- And Chemoselective System For The Hydrodehalogenation Of Halogenated Heterocycles
  作者:Chelucci,Giorgio; Figus,Susanna
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2014 卷标:393 页码:191-209]
  
  5394-13-8 = 95-15-8
  反应条件:1.1 Reagents: N,N,N′,N′-Tetramethylethylenediamine,Sodium Borohydride Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: Tetrahydrofuran; 0.5 H,Rt
  标题:Room-Temperature Hydrodehalogenation Of Halogenated Heteropentalenes With One Or Two Heteroatoms
  作者:Chelucci,Giorgio; Baldino,Salvatore; Ruiu,Andrea
  参考文献:Journal Of Organic Chemistry 日期:2012 卷标:77(21) 页码:9921-9925]
  
  568572-21-4 = 95-15-8
  反应条件:1.1 Reagents: Lithium Tert-Butoxide,Water Catalysts: Cobalt Dibromide,1H-Imidazolium,1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-,Chloride (1:1) Solvents: Tetrahydrofuran; 6 H,80 °C; 80 °C -> Rt1.2 Reagents: Ammonium Chloride Solvents: Water; Rt
  标题:Cobalt-Catalyzed Protodeboronation Of Aryl And Vinyl Boronates
  作者:Li,Ninglin; Xiong,Fuqiang; Gao,Ke
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(2) 页码:1972-1979]
  
  7342-82-7 = 95-15-8
  反应条件:1.1 Reagents: Triethylamine,Hydrogen Catalysts: Chitosan Solvents: Methanol,Water; 48 H,30 Bar,120 °C
  标题:A Biomass-Derived Non-Noble Cobalt Catalyst For Selective Hydrodehalogenation Of Alkyl And (Hetero)Aryl Halides
  作者:Sahoo,Basudev; Surkus,Annette-Enrica; Pohl,Marga-Martina; Radnik,Joerg; Schneider,Matthias; Et Al
  参考文献:Angewandte Chemie 日期:2017 卷标:56(37) 页码:11242-11247]
  
  = 95-15-8 [标题:Reaction Conditions
  标题:High-Temperature Organic Synthesis. Xxxi. Reaction Of Phenylthio Radicals With Acetylene,Phenylacetylene,And Propargyl Alcohol
  作者:Sukhomazova,E. N.; Russavskaya,N. V.; Korchevin,N. A.; Deryagina,E. N.; Voronkov,M. G.
  参考文献:Zhurnal Organicheskoi Khimii 日期:1989 卷标:25(7) 页码:1506-12]
  
  5381-20-4 = 95-15-8
  反应条件:1.1 Reagents: Oxygen Catalysts: Palladium Solvents: Cyclohexane; 24 H,130 °C
  标题:Fibrous-Silica Supported Palladium-Nanoparticles (Kcc-1-Pei/pd): A Sustainable Nanocatalyst For Decarbonylation Reactions
  作者:Kundu,Pintu K.; Dhiman,Mahak; Modak,Atanu; Chowdhury,Arindam; Polshettiwar,Vivek; Et Al
  参考文献:Chempluschem 日期:2016 卷标:81(11) 页码:1142-1146]
  
  55219-11-9 = 95-15-8
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: Palladium,Copper,Titania Solvents: Toluene; Rt -> 250 °C; 4 H,0.5 Mpa,250 °C
  标题:A Novel Synthesis Of Benzo[b]Thiophene
  作者:Liao,Zutai; Lv,Xuehao; Tao,Ming
  参考文献:Research On Chemical Intermediates 日期:2013 卷标:39(9) 页码:4021-4024]
  
  = 95-15-8
  反应条件:1.1 Reagents: Dimethylformamide,Hexamethyldisilazane Catalysts: 1,1,1-Trimethyl-N,N-Bis(Trimethylsilyl)Silanamine,Cesium Fluoride Solvents: Dimethylformamide; 24 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; 1.5 H,Rt
  标题:Catalytic Deprotonative α-Formylation Of Heteroarenes By An Amide Base Generated In Situ From Tetramethylammonium Fluoride And Tris(Trimethylsilyl)Amine
  作者:Shigeno,Masanori; Fujii,Yuki; Kajima,Akihisa; Nozawa-Kumada,Kanako; Kondo,Yoshinori
  参考文献:Organic Process Research & Development 日期:2019 卷标:23(4) 页码:443-451

海关参考信息

• 2902200000-苯
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• ➥ 象形图和危险代码
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• ➥ 危险代码说明
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