CAS: 886-60-2; 1-Phenyl-3-(Pyridin-2-yl)Thiourea

• 英文名称1-Phenyl-3-(Pyridin-2-yl)Thiourea
• 中文名称1-苯基-3-(吡啶-2-基)硫脲
• IUPAC名称1-phenyl-3-(pyridin-2-yl)thiourea
• 其它别名1-苯基-3-(2-吡啶)-2-硫脲; 1-Phenyl-3-(2-Pyridyl)-2-Thiourea
• CAS编号886-60-2
• MFCD编号:MFCD00023430
• EINECS号:212-951-0
• FDA UNII编号:W5M2WU9V3M
• 分子式:C12H11N3S分子量:229.31
• 产品CID: 1904212
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

• 相似结构搜索
• 产品信息参考
• InChIKey: JFHXWMRFXORESD-UHFFFAOYSA-N
• InChI=1S/C12H11N3S/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9H,(H2,13,14,15,16)
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数2.0

相似化合物

物理性质

• 熔点178 °C
• 沸点371.0±34.0 °C at 760 mmHg
• 闪点178.2±25.7 °C
• 密度1.341 g/cm3
• PSA:36.95
• LogP:2.8905
• 折射率1.761
• 蒸汽压1.06E-05 mmHg at 25 °C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05;
  注释: Exclamation mark & Corrosion
• 危险类别急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼损伤 类别1
  严重眼刺激 类别2
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501
• 危险等级IRRITANT

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 1-Phenyl-3-(2-Pyridyl)-2-Thiourea 主要起始原料 2-Aminopyridine And Phenyl Isothiocyanate
• 103-72-0 = 886-60-2
  反应条件:1.1 Solvents: Tetrahydrofuran; 15 Min,20 - 25 °C; 2 H,20 - 25 °C
  标题:A Novel Thiourea Derivative For Preconcentration Of Copper(Ii),Nickel(Ii),Cadmium(Ii),Lead(Ii) And Iron(Ii) From Seawater Samples For Flame Atomic Absorption Spectrophotometry
  作者:Sanlier Ucak,Sengul; Aydin,Adnan
  参考文献:Marine Pollution Bulletin 日期:2022 卷标:180]
  
  103-72-0 = 886-60-2
  反应条件:1.1 Reagents: Sodium Hydride Solvents: 1,4-Dioxane; 0 °C -> Rt
  标题:A Selective,Orally Bioavailable 1,2,4-Triazolo[1,5-A]Pyridine-Based Inhibitor Of Janus Kinase 2 For Use In Anticancer Therapy: Discovery Of Cep-33779
  作者:Dugan,Benjamin J.; Gingrich,Diane E.; Mesaros,Eugen F.; Milkiewicz,Karen L.; Curry,Matthew A.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2012 卷标:55(11) 页码:5243-5254]
  
  103-72-0 = 886-60-2
  反应条件:1.1 Solvents: Ethanol
  标题:Synthesis And Antibacterial Activity Of Pyridyl Thioureas And Arylthiosemicarbazones
  作者:Kumar,K. S.; Singh,S. K.; Pandeya,S. N.
  参考文献:Bollettino Chimico Farmaceutico 日期:2001 卷标:140(4) 页码:238-242]
  
  262350-35-6 = 886-60-2
  反应条件:1.1 Solvents: Ethanol
  标题:1-(Methyldithiocarbonyl)Imidazole: A Useful Thiocarbonyl Transfer Reagent For Synthesis Of Substituted Thioureas
  作者:Mohanta,Pramod K.; Dhar,Sanchita; Samal,S. K.; Ila,H.; Junjappa,H.
  参考文献:Tetrahedron 日期:2000 卷标:56(4) 页码:629-637]
  
  103-72-0 = 886-60-2
  反应条件:1.1 10 - 15 Min,100 °C
  标题:Synthesis,Phytotoxic,Cytotoxic,Acetylcholinesterase And Butyrylcholinesterase Activities Of N,N'-Diaryl Unsymmetrically Substituted Thioureas
  作者:Begum,Saeedan; Choudhary,M. Iqbal; Khan,Khalid M.
  参考文献:Natural Product Research 日期:2009 卷标:23(18) 页码:1719-1730]
  
  103-72-0 = 886-60-2
  反应条件:1.1 Solvents: Ethanol; 8 H,78 °C
  标题:Synthesis,Crystal Structure,Characterization And Studies On Dna Binding Of A Novel Copper(Ii) Complex [cu(Pypt)(No3)2]
  作者:Liu,Dan; Zhou,Yin-Zhuang
  参考文献:Wuji Huaxue Xuebao 日期:2009 卷标:25(10) 页码:1797-1804]
  
  103-72-0 = 886-60-2
  反应条件:1.1 Reagents: 2,4-Dimethylpyridine,Oxygen Solvents: 1,2-Dichloroethane; 50 °C
  标题:Copper-Catalyzed Aerobic Oxidative [3+2] Annulation For The Synthesis Of 5-Amino/imino-Substituted 1,2,4-Thiadiazoles Through C-N/n-S Bond Formation
  作者:Yu,Wentao; Huang,Yubing; Li,Jianxiao; Tang,Xiaodong; Wu,Wanqing; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2018 卷标:83(16) 页码:9334-9343]
  
  = 886-60-2
  反应条件:1.1 Solvents: Toluene; Rt -> Reflux; 5 H,Reflux
  标题:Fused Polycyclic Nitrogen-Containing Heterocycles
  作者:Mamedov,V. A.; Zhukova,N. A.; Beschastnova,T. N.; Levin,Ya. A.; Gubaidullin,A. T.; Et Al
  参考文献:Russian Chemical Bulletin 日期:2007 卷标:56(11) 页码:2308-2314]
  
  103-72-0 = 886-60-2
  反应条件:1.1 Solvents: 1,4-Dioxane
  标题:High-Pressure Organic Chemistry. Part 25. High-Pressure-Promoted Addition Of Isothiocyanates To Aminopyridines: Efficient Synthesis Of Pyridine-Thiourea Conjugates As Building Blocks For Hydrogen-Bonding Receptors
  作者:Kumamoto,Koji; Misawa,Yoshihiro; Tokita,Sumio; Kubo,Yuji; Kotsuki,Hiyoshizo
  参考文献:Tetrahedron Letters 日期:2002 卷标:43(6) 页码:1035-1038]
  
  103-72-0 + 15009-91-3 = 886-60-2
  反应条件:1.1 Reagents: Sodium Borohydride Catalysts: Tris[μ-[2-Amino-1,4-Benzenedicarboxylato(2-)-Ko1:Ko′1]]Diaquafluoro-μ3-Oxotrichr... (Post-Treated With Cyanuric Chloride; Aminopyridine; Nicl2) Solvents: Water; 20 Min,Rt
  标题:Green Synthesis Of Thiourea Derivatives From Nitrobenzenes Using Ni Nanoparticles Immobilized On Triazine-Aminopyridine-Modified Mil-101(Cr) Mof
  作者:Heidari,Sara; Alavinia,Sedigheh; Ghorbani-Vaghei,Ramin
  参考文献:Scientific Reports 日期:2023 卷标:13(1)]
  
  103-72-0 = 886-60-2
  反应条件:1.1 Solvents: Dichloromethane; Rt; 4 H,Reflux
  标题:Synthesis And Biological Evaluation Of Novel 2-Imino-4-Thiazolidinones As Potential Antitumor Agents For Glioblastoma
  作者:Campos,Jose Coan; Campos,Patrick Teixeira; Pedra,Nathalia Stark; Bona,Natalia Pontes; Soares,Mayara Sandrielly; Et Al
  参考文献:Medicinal Chemistry (Sharjah 日期:2022 卷标:18(4) 页码:452-462]
  
  103-72-0 = 886-60-2
  反应条件:1.1 Solvents: Tert-Butanol; 20 H,Reflux
  标题:Antimycobacterial And Anti-Inflammatory Activities Of Thiourea Derivatives Focusing On Treatment Approaches For Severe Pulmonary Tuberculosis
  作者:Calixto,Sanderson Dias; Simao,Thatiana Lopes Bia Ventura; Palmeira-Mello,Marcos Vinicius; Viana,Gil Mendes; Assumpcao,Paloma Wetler Meireles Carreiros; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2022 卷标:53]
  
  103-72-0 = 886-60-2
  反应条件:1.1 Solvents: Dimethyl Sulfoxide; 4 Min,120 °C
  标题:Diversity-Oriented Synthesis Of Thiazolidine-2-Imines Via Microwave-Assisted One-Pot,Telescopic Approach And Its Interaction With Biomacromolecules
  作者:Saikia,Ananya Anubhav; Rao,Ramdas Nishanth; Maiti,Barnali; Balamurali,Musuvathi Motilal; Chanda,Kaushik
  参考文献:Acs Combinatorial Science 日期:2020 卷标:22(11) 页码:630-640]
  
  103-72-0 = 886-60-2
  反应条件:1.1 Catalysts: 1-Butyl-3-Methylimidazolium Tetrafluoroborate Solvents: 1-Butyl-3-Methylimidazolium Tetrafluoroborate; 25 Min,Rt
  标题:Organic Reactions In Ionic Liquids: Ionic Liquid-Promoted Efficient Synthesis Of Disubstituted And Trisubstituted Thiourea Derivatives
  作者:Le,Zhang Gao; Chen,Zhen Chu; Hu,Yi; Zheng,Qin Guo
  参考文献:Chinese Chemical Letters 日期:2005 卷标:16(2) 页码:201-204]
  
  103-72-0 = 886-60-2
  反应条件:1.1 Solvents: Ethanol; 2 H,Reflux
  标题:Synthesis,Characterization,Crystal Structure And Luminescence Properties Of Phosphinic Silver(I) Complexes With Thiourea Derivatives
  作者:Belicchi Ferrari,Marisa; Bisceglie,Franco; Cavalli,Enrico; Pelosi,Giorgio; Tarasconi,Pieralberto; Et Al
  参考文献:Inorganica Chimica Acta 日期:2007 卷标:360(10) 页码:3233-3240]
  
  103-72-0 = 886-60-2
  反应条件:1.1 Solvents: Benzene
  标题:Spectroscopic (C-13 Nmr,Ir And Uv-Vis.) And Structural Characterization And Biological Activity Study Of Some New Mg(Ii),Mn(Ii),Fe(Ii),Cu(Ii),Zn(Ii),Cd(Ii),And La(Iii) Complexes Of 1-Phenyl-3-(Pyridin-2-Yl)-2-Thiourea
  作者:Sarkis,George Y.; Sarkis,Rony G.
  参考文献:Dirasat: Pure Sciences 日期:2006 卷标:33(1) 页码:21-27]
  
  103-72-0 = 886-60-2 [标题:Reaction Conditions
  标题:Synthesis And Spectral And Biological Activity Of New Complexes In N-Phenyl-N'-(2-Pyridyl)Thiourea With Manganese(Ii),Iron(Ii),Cobalt(Ii) And Copper(Ii)
  作者:Sarkis,George Y.; Farah,Robin G.
  参考文献:Abhath Al-Yarmouk 日期:2004 卷标:13(1)]
  
  103-72-0 = 886-60-2
  反应条件:1.1 Solvents: Benzene; 1.5 H,Reflux; Cooled
  标题:Palladium(Ii) And Platinum(Ii) Complexes Containing The Mixed Ligands N-Phenyl-N'-(2-Pyridinyl Or 2-Pyridinylmethyl)Thiourea And Diphosphines Ph2P(Ch2)Npph2 (N = 1-4)
  作者:Al-Hayaly,Lamaan J.; Abdullah,Bayazeed H.; Al-Dulaimi,Adnan A. N.; Al-Jibori,Subhi A.
  参考文献:Oriental Journal Of Chemistry 日期:2008 卷标:24(2) 页码:381-388]
  
  103-72-0 = 886-60-2
  反应条件:1.1 Solvents: Dichloromethane; 0 °C; 45 Min,0 °C
  标题:Synthesis And In Vitro Urease Inhibitory Activity Of N,N'-Disubstituted Thioureas
  作者:Khan,Khalid Mohammed; Naz,Farzana; Taha,Muhammad; Khan,Ajmal; Perveen,Shahnaz; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2014 卷标:74 页码:314-323]
  
  103-85-5 = 886-60-2
  反应条件:1.1 Catalysts: Tungstate (Sulfated); 3 H,90 °C
  标题:Sulfated-Tungstate-Catalyzed Synthesis Of Ureas/thioureas Via Transamidation And Synthesis Of Forchlorofenuron
  作者:Wagh,Ganesh D.; Pathare,Sagar P.; Akamanchi,Krishnacharya G.
  参考文献:Chemistryselect 日期:2018 卷标:3(25) 页码:7049-7053

海关参考信息

• 2933310010-吡啶
  2939800000-其他生物碱
• 💡 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

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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• ➥ REACH监管