CAS: 93271-59-1; 3-Cyano-4-Methyl-2-Pyridone

• 英文名称3-Cyano-4-Methyl-2-Pyridone
• 中文名称4-甲基-2-氧代-1H-吡啶-3-腈
• IUPAC名称4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
• 其它别名2-羟基-3-氰基-4-甲基-吡啶; 2-Hydroxy-4-Methylpyridine-3-Carbonitrile
• CAS编号93271-59-1
• MFCD编号:MFCD00716620
• EINECS号:959-800-1
• 分子式:C7H6N2O
• 分子量:134.14
• 产品CID: 1971016
• 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: XSJRLWNOZDULKJ-UHFFFAOYSA-N
• InChI=1S/C7H6N2O/c1-5-2-3-9-7(10)6(5)4-8/h2-3H,1H3,(H,9,10)…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数0.0

相似化合物

物理性质

• 熔点230-232°C
• 沸点337.7°C at 760 mmHg
• 闪点158.0±25.9 °C
• 密度1.2±0.1 g/cm3
• pKa:8.96±0.10(预测)
• PSA:56.91
• LogP:0.9673
• 折射率1.553
• 蒸汽压0.0±0.7 mmHg at 25°C
• 外观形态淡黄色至黄色固体
• 储存条件存储温度 2-8°C

MSDS等安全信息

• GHS符号GHS07
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  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
  严重眼刺激 类别2A
• 警示词Warning
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  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-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

欧盟法规

合成工艺路线路线简述

• 65995-94-0 = 93271-59-1
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; < 30 °C; 30 °C -> 50 °C; 2 H,50 °C
  标题:Preparation Of 2-Piperazinopyridine-3-Carboxylates As Voltage-Gated Sodium Channel Blockers
  参考文献:World Intellectual Property Organization]
  
  65995-94-0 = 93271-59-1
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; < 30 °C; 30 °C -> 50 °C; 2 H,50 °C
  标题:Preparation Of Substituted Pyridinecarboxylates As Voltage-Gated Sodium Channel Blockers
  参考文献:World Intellectual Property Organization]
  
  141-97-9 + 107-91-5 = 93271-59-1
  反应条件:1.1 Reagents: Potassium Carbonate
  标题:Investigation Of The Reaction Conditions For The Synthesis Of 4,6-Disubstituted 3-Cyano-2-Pyridones And 4-Methyl-3-Cyano-6-Hydroxy-2-Pyridone
  作者:Mijin,Dusan; Misic-Vukovic,Milica M.
  参考文献:Journal Of The Serbian Chemical Society 日期:1994 卷标:59(12) 页码:959-65]
  
  5436-21-5 + 107-91-5 = 93271-59-1
  反应条件:1.1 Reagents: Acetic Acid Catalysts: Ammonium Acetate Solvents: Toluene; Rt1.2 Reagents: Sulfuric Acid Solvents: Ethanol,Water; 40 Min,25 °C; 30 Min,50 °C1.3 Solvents: Water; 50 Min,5 °C
  标题:Improved Synthesis Of 2-Chloro-3-Amino-4-Methylpyridine
  作者:Zhao,Qian; Chen,Han-Geng; Qian,Chao; Chen,Xin-Zhi
  参考文献:Journal Of Heterocyclic Chemistry 日期:2013 卷标:50(1) 页码:145-148]
  
  410547-38-5 + 410547-37-4 = 93271-59-1
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; Rt; Rt -> 90 °C; 1.5 H,90 °C; Cooled1.2 Reagents: Water
  标题:Synthesis Of 2-Chloro-3-Amino-4-Methylpyridine Oxychloride Cement
  作者:Xiao,Qing; Liu,Anchang; Tan,Zhenyou; Liu,Fang
  参考文献:Wuhan Gongcheng Daxue Xuebao 日期:2008 卷标:30(4) 页码:33-35]
  
  107-91-5 = 93271-59-1
  反应条件:1.1 Reagents: Sodium Tert-Butoxide Solvents: Dimethyl Sulfoxide; Overnight,Rt
  标题:Process For Preparation Of Nevirapine Key Intermediate 2-Chloro-3-Amino-4-Methylpyridine
  参考文献:China]
  
  410547-38-5 + 410547-37-4 = 93271-59-1
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; 5 - 10 °C; 2 - 3 H,50 °C1.2 Reagents: Water; Cooled
  标题:Method For Preparation Of 2-Chloro-3-Amino-4-Methylpyridine
  参考文献:China]
  
  71493-76-0 = 93271-59-1
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; Rt -> 50 °C; 50 °C -> 10 °C1.2 Reagents: Sodium Nitrite Solvents: Water; 5 H,< 15 °C; Overnight,Rt
  标题:Synthesis Of 3-Amino-2-Chloro-4-Methylpyridine From Malononitrile And Acetone
  参考文献:World Intellectual Property Organization]
  
  5436-21-5 + 107-91-5 = 93271-59-1
  反应条件:1.1 Catalysts: Acetic Acid,Ammonium Acetate Solvents: Toluene; 8 H,Rt -> Reflux1.2 Reagents: Sulfuric Acid Solvents: Ethanol,Water; 40 Min,Rt; Rt -> 50 °C; 3 H,50 °C; 50 °C -> 5 °C1.3 Solvents: Water; 20 Min,5 °C; 30 Min,5 °C
  标题:A Concise Synthesis Of 2-Chloro-3-Amino-4-Methylpyridine
  作者:Ge,Xin; Chen,Han-Geng; Cao,Chang-Hui; Liu,Jin-Qiang; Qian,Chao; Et Al
  参考文献:Research On Chemical Intermediates 日期:2011 卷标:37(6) 页码:599-604]
  
  410547-38-5 + 410547-37-4 = 93271-59-1
  反应条件:1.1 Reagents: Sulfuric Acid1.2 Solvents: Water
  标题:Process For Preparation Of 3-Amino-2-Chloro-4-Methylpyridine
  参考文献:World Intellectual Property Organization]
  
  109-94-4 + 107-91-5 = 93271-59-1
  反应条件:1.1 Reagents: Sodium Solvents: Diethyl Ether; Cooled; 1 H,< 20 °C; 5 H,Cooled1.2 Solvents: Water; 10 Min,Rt1.3 Catalysts: Piperidinium Acetate; 2 H,Rt -> 100 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 4 - 5,Cooled
  标题:Pyrrole-3-Formamide Compound,Its Preparation Method And Its Use In Preparation Of Anticancer Agents
  参考文献:China]
  
  1025080-30-1 = 93271-59-1
  反应条件:1.1 Reagents: Sulfuric Acid,2-(3,3-Dimethoxy-1-Methylpropylidene)Propanedinitrile Solvents: Water; 2 H,50 °C; 50 °C -> Rt
  标题:Caspase Inhibitors Based On Pyridazinone Scaffold
  参考文献:World Intellectual Property Organization]
  
  243860-74-4 = 93271-59-1
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid
  标题:Alkyl Azinyl Carbonitriles As Building Blocks In Heterocyclic Synthesis. A Route For The Synthesis Of 4-Methyl-2-Oxopyridines
  作者:Al-Mousawi,S. M.; George,K. S.; Elnagdi,M. H.
  参考文献:Pharmazie 日期:1999 卷标:54(8) 页码:571-574]
  
  1188-33-6 + 93271-58-0 = 93271-59-1 [标题:Reaction Conditions
  标题:Acetals Of Lactams And Amides Of Acids. 42. Cyclization Of Dieneamino Esters,Dieneaminonitriles,And Acylamidines Into Pyridine Derivatives
  作者:Smetskaya,N. I.; Mukhina,N. A.; Granik,V. G.
  参考文献:Khimiya Geterotsiklicheskikh Soedinenii 日期:1984 卷标:(6) 页码:799-802]
  
  5436-21-5 + 107-91-5 = 93271-59-1
  反应条件:1.1 Reagents: Acetic Acid Catalysts: Ammonium Acetate Solvents: Toluene; 8 H,Reflux; Reflux -> Rt1.2 Reagents: Sulfuric Acid Solvents: Ethanol,Water; 25 °C; 3 H,50 °C
  标题:Polypharmacological Profile Of 1,2-Dihydro-2-Oxo-Pyridine-3-Carboxamides In The Endocannabinoid System
  作者:Chicca,Andrea; Arena,Chiara; Bertini,Simone; Gado,Francesca; Ciaglia,Elena; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2018 卷标:154 页码:155-171]
  
  410547-37-4 = 93271-59-1
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; 0 °C; 5 H,0 °C -> 50 °C
  标题:Preparation Of Axl,C-Met,And Tyro3 Inhibitors
  参考文献:World Intellectual Property Organization]
  
  133627-45-9 = 93271-59-1
  反应条件:1.1 Reagents: Sodium Nitrite,Sulfuric Acid Solvents: Water; Rt -> 0 °C; 0 °C1.2 Reagents: Potassium Cyanide Solvents: Water; > 1 Min,Heated; 30 Min,Rt1.3 Reagents: Sodium Bicarbonate; Neutralized,Rt1.4 Reagents: Hydrochloric Acid; 2 H,Reflux; Cooled1.5 Reagents: Potassium Bicarbonate; Ph 3
  标题:Molecular And Crystal Structure,Ir And Raman Spectra,And Quantum Chemical Calculations For 2-Hydroxy-3-Cyano-4-Methylpyridine
  作者:Kucharska,E.; Sasiadek,W.; Janczak,J.; Ban-Oganowska,H.; Lorenc,J.; Et Al
  参考文献:Vibrational Spectroscopy 日期:2010 卷标:53(2) 页码:189-198]
  
  = 93271-59-1 [标题:Reaction Conditions
  标题:Preparation Of Carboxamides As Sodium Channel Blocking Compounds,Derivatives Thereof,And Methods Of Their Use
  参考文献:World Intellectual Property Organization]
  
  = 93271-59-1 [标题:Reaction Conditions
  标题:Studies On The Preparation Of 3,4-Disubstituted 2-Methoxypyridines
  作者:Pelisson,Marcelo M. M.; Da Silva,Gil Valdo Jose; Clive,Derrick L. J.; Coltart,Don M.; Hof,Fraser A.
  参考文献:Journal Of Heterocyclic Chemistry 日期:1999 卷标:36(3) 页码:653-658

海关参考信息

• 2933310010-吡啶
  2926909090-其他腈基化合物
  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

专利信息

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
• ➥ Globally Harmonized System
• ➥ REACH监管