CAS: 92-30-8; 2-(Trifluoromethyl)-10H-Phenothiazine

• 英文名称2-(Trifluoromethyl)-10H-Phenothiazine
• 中文名称2-三氟甲基吩噻嗪
• IUPAC名称2-(trifluoromethyl)-10H-phenothiazine
• 其它别名2-(三氟甲基)吩噻嗪(Cas号:92-30-8); 2-Trifluoromethylphenothiazine
• CAS编号92-30-8
• MFCD编号:MFCD00005018
• EINECS号:202-145-7
• FDA UNII编号:877S053KX3
• 分子式:C13H8F3NS
• 分子量:267.27
• 产品CID: 1960702
• 产品分类有机原料→分子砌块→芳杂环类化合物→其它芳杂环类化合物

• 相似结构搜索
• InChIKey: RKGYJVASTMCSHZ-UHFFFAOYSA-N
• InChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-7,17H…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数0.0

物理性质

• 熔点188-190°C
• 沸点361.1°C at 760 mmHg
• 闪点172.2±27.9 °C
• 密度1.4±0.1 g/cm3
• pKa:-2.60±0.20(预测)
• PSA:12.03
• LogP:4.9136
• 折射率1.588
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 外观形态淡黄色至浅绿色固体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于合成抗结核药物和抗生素.

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)
  水生急性毒性 类别1
  水生慢性毒性 类别1
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H400 |对水生生物毒性极大.
  H410 |对水生生物毒性极大并具有长期持续影响.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• UN编号25kgs
• 危险品标志Xn,Xi
• 风险等级Irritant
• 安全声明36-37/39-26
• 危险类别码20/21/22-22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 583-55-1 + 19406-49-6 = 92-30-8
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Cuprous Iodide Solvents: Dimethyl Sulfoxide; 48 H,120 °C
  标题:Synthesis Of Phenothiazines Via Ligand-Free Cui-Catalyzed Cascade C-S And C-N Coupling Of Aryl Ortho-Dihalides And Ortho-Aminobenzenethiols
  作者:Dai,Chuan; Sun,Xiaofei; Tu,Xingzhao; Wu,Li; Zhan,Dan; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2012 卷标:48(43) 页码:5367-5369]
  
  6320-02-1 + 105202-02-6 = 92-30-8
  反应条件:1.1 Catalysts: Ferric Citrate Solvents: Dimethylformamide; 25 - 30 °C; 30 °C -> 110 °C; 2 H,110 °C1.2 Reagents: Potassium Carbonate; 12 H,110 °C
  标题:Efficient And Regioselective Synthesis Of Phenothiazine Via Ferric Citrate Catalyzed C-S/c-N Cross-Coupling
  作者:Das,Tonmoy Chitta; Imam Quadri,Syed Aziz; Farooqui,Mazahar
  参考文献:Letters In Organic Chemistry 日期:2019 卷标:16(1) 页码:16-24]
  
  101-23-5 = 92-30-8
  反应条件:1.1 Reagents: Sulfur; Rt -> 130 °C; 130 °C1.2 Reagents: Iodine; 130 °C -> 190 °C; 1 H,185 - 190 °C; 190 °C -> 100 °C1.3 Solvents: Toluene; 100 °C1.4 Reagents: Water; 5 Min,100 °C
  标题:Preparation Method Of Fluphenazine Hydrochloride For Treating Mental Diseases
  参考文献:China]
  
  1554-60-5 = 92-30-8
  反应条件:1.1 Reagents: Pinacolborane Catalysts: Triethylborane,Potassium Hydroxide Solvents: Tetrahydrofuran; 24 H,100 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 1 H,25 °C
  标题:Combined Koh/bet3 Catalyst For Selective Deaminative Hydroboration Of Aromatic Carboxamides For Construction Of Luminophores
  作者:Yao,Wubing; Wang,Jiali; Zhong,Aiguo; Li,Jinshan; Yang,Jianguo
  参考文献:Organic Letters 日期:2020 卷标:22(20) 页码:8086-8090]
  
  694-80-4 + 19406-49-6 = 92-30-8
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Cuprous Iodide Solvents: Dimethyl Sulfoxide; 48 H,120 °C; 120 °C -> Rt1.2 Reagents: Water; Rt
  标题:Copper Salt-Catalyzed Synthesis Of Phenothiazine Compounds
  参考文献:China]
  
  672-57-1 + 1204-55-3 = 92-30-8
  反应条件:1.1 Reagents: Cesium Carbonate Solvents: Dimethylformamide; 10 H,130 °C; 130 °C -> Rt1.2 Solvents: Water; Rt
  标题:Transition-Metal-Free Synthesis Of Phenothiazines From S-2-Acetamidophenyl Ethanethioate And Ortho-Dihaloarenes
  作者:Zhou,Yue; Zeng,Qingle; Zhang,Li
  参考文献:Synthetic Communications 日期:2017 卷标:47(7) 页码:710-715]
  
  19406-49-6 = 92-30-8
  反应条件:1.1 Reagents: Oxygen Catalysts: [(Phenylmethyl)Sulfonyl]Benzene,Potassium Iodide Solvents: Chlorobenzene; 24 H,140 °C
  标题:Synthesis Of Phenothiazines From Cyclohexanones And 2-Aminobenzenethiols Under Transition-Metal-Free Conditions
  作者:Liao,Yunfeng; Jiang,Pengcheng; Chen,Shanping; Xiao,Fuhong; Deng,Guo-Jun
  参考文献:Rsc Advances 日期:2013 卷标:3(40) 页码:18605-18608]
  
  30223-48-4 = 92-30-8
  反应条件:1.1 Reagents: Hydrochloric Acid
  标题:Identification Of 10-Acyl Derivatives Of Phenothiazine By Potassium Bromate Oxidation In Acid Medium
  作者:Prokof'Eva,V. I.; Nechaeva,E. B.; Vasina,V. V.; Vasil'Ev,A. P.; Dashbalyn,Ts.
  参考文献:Farmatsiya (Moscow 日期:1989 卷标:38(1) 页码:40-2]
  
  = 92-30-8 [标题:Reaction Conditions
  标题:Preparation Of Phenothiazine Compounds As Antiviral Compounds
  参考文献:World Intellectual Property Organization]
  
  = 92-30-8 [标题:Reaction Conditions
  标题:Heterocyclic Free Radicals. Part 7. Substituent Effects On The Distribution Of Spin Density In The Cation,Neutral,And Nitroxide Radicals Of Phenothiazine
  作者:Clarke,David; Gilbert,Bruce C.; Hanson,Peter
  参考文献:Journal Of The Chemical Society 日期:1977 卷标:(4) 页码:517-25]
  
  6320-02-1 + 105202-02-6 = 92-30-8
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: L-Proline,Cuprous Iodide Solvents: 2-Methoxyethanol; 28 H,90 °C; 72 H,110 °C
  标题:Assembly Of Substituted Phenothiazines By A Sequentially Controlled Cui/l-Proline-Catalyzed Cascade C-S And C-N Bond Formation
  作者:Ma,Dawei; Geng,Qian; Zhang,Hui; Jiang,Yongwen
  参考文献:Angewandte Chemie 日期:2010 卷标:49(7) 页码:1291-1294]
  
  1554-60-5 = 92-30-8
  反应条件:1.1 Reagents: Triethoxysilane Catalysts: Sodium Triethylborohydride Solvents: Tert-Butyl Methyl Ether; 24 H,80 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 1 H,Rt
  标题:Hydride-Catalyzed Selectively Reductive Cleavage Of Unactivated Tertiary Amides Using Hydrosilane
  作者:Yao,Wubing; Li,Rongrong; Yang,Jianguo; Hao,Feiyue
  参考文献:Catalysis Science & Technology 日期:2019 卷标:9(15) 页码:3874-3878]
  
  101-23-5 = 92-30-8
  反应条件:1.1 Reagents: Sulfur
  标题:Synthesis Of Phenothiazine Derivatives For Use As Antioxidants
  作者:Smith,Nathan L.
  参考文献:Journal Of Organic Chemistry 日期:1950 卷标:15 页码:1125-30]
  
  1444-47-9 + 481075-58-5 = 92-30-8
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: 1,10-Phenanthroline,Ferrous Sulfate Solvents: Dimethylformamide; 24 H,Rt -> 135 °C
  标题:Method For The Synthesis Of Phenothiazines Via A Domino Iron-Catalyzed C-S/c-N Cross-Coupling Reaction
  作者:Hu,Weiye; Zhang,Songlin
  参考文献:Journal Of Organic Chemistry 日期:2015 卷标:80(12) 页码:6128-6132]
  
  1444-47-9 + 640280-28-0 = 92-30-8
  反应条件:1.1 Reagents: 1,10-Phenanthroline,Potassium Tert-Butoxide,Ferrous Sulfate Solvents: Dimethylformamide; Rt -> 135 °C; 24 H,135 °C
  标题:Iron-Catalyzed Synthesis Of Phenothiazine Derivatives
  参考文献:China]
  
  101-23-5 = 92-30-8 + 343-21-5 [标题:Reaction Conditions
  标题:Product Subclass 3: One Sulfur,Selenium,Or Tellurium Atom And One Nitrogen Or Phosphorus Atom
  作者:Ulrich,H.
  参考文献:Science Of Synthesis 日期:2004 卷标:17 页码:117-221]
  
  351-36-0 = 92-30-8
  反应条件:1.1 Reagents: Sodium Carbonate,Polyoxyethylene Sorbitan Monooleate Catalysts: Cuprous Iodide1.2 Reagents: Sodium Hydroxide Solvents: Water1.3 Reagents: Sulfur Catalysts: Iodine
  标题:Simplified Method For The Synthesis Of 2-(Trifluoromethyl)Phenothiazine
  参考文献:Russian Federation]
  
  2622-37-9 = 92-30-8
  反应条件:1.1 Catalysts: Dimethyl Sulfate
  标题:Recovery Of Phenothiazine From 10-(Dimethylaminoalkyl)Phenothiazine Derivative Byproducts
  参考文献:Hungary]
  
  = 92-30-8 [标题:Reaction Conditions
  标题:Preparation Of Substituted Azaheteroaryl Derivatives And Analogs For Use As Stem Cell Differentiators
  参考文献:World Intellectual Property Organization]
  
  = 92-30-8 [标题:Reaction Conditions
  标题:Synthesis Of Deuterium-Labeled Fluphenazine
  作者:Shetty,H. Umesha; Hawes,Edward M.; Midha,Kamal K.
  参考文献:Journal Of Pharmaceutical Sciences 日期:1984 卷标:73(1) 页码:87-90

海关参考信息

• 2902300000-甲苯
  2921440000-二苯胺
  2903399090-其他无环烃卤化衍生物
  2930909099-其他有机硫化合物
• 💡 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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