CAS: 930-36-9; 1-Methylpyrazole

• 英文名称1-Methylpyrazole
• 中文名称1-甲基吡唑
• IUPAC名称1-methyl-1H-pyrazole
• 其它别名1-甲基-1H-吡唑; 1-Methyl Pyrazole
• CAS编号930-36-9
• MFCD编号:MFCD00144943
• EINECS号:618-896-2
• 分子式:C4H6N2
• 分子量:82.11
• 产品CID: 1969218
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡唑类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: UQFQONCQIQEYPJ-UHFFFAOYSA-N
• InChI=1S/C4H6N2/c1-6-4-2-3-5-6/h2-4H,1H3…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数0.0

相似化合物

物理性质

• 熔点36.5°C
• 沸点127°C at 760 mmHg
• 闪点36°C
• 密度0.988 g/mL at 20 °C (文献)
• pKa:2.25±0.10(预测)
• PSA:17.82
• LogP:0.4201
• 折射率n 20/D 1.477
• 蒸汽压17.1 [mmHg]
• 溶解性Soluble In Water
• 外观形态透明无色至淡黄色液体
• 储存条件惰性气氛,室温
• 产品应用该化合物用于将五甲苯基苯衍生物制成甘醇基酶活化剂.

MSDS等安全信息

• GHS象形图
• GHS符号GHS02 & GHS07;
  注释: Flame & Exclamation mark
• 危险类别易燃液体 类别3
  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
  急性毒性 类别4(经口)
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H226 |易燃液体和蒸气.
  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.
  H302 |吞咽有害.
• 防范说明P210-P233-P240-P241-P242-P243-P264-P280-P362-P370+P378-P501
• 危险等级3
• UN编号1993.0
• 危险品标志Xi
• 包装等级Ⅲ
• 安全声明26-37/39-16
• 危险类别码10-36/37/38
• 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 1-Methylpyrazole 主要起始原料 Pyrazole And Dimethyl Carbonate
• 39806-90-1 = 930-36-9
  反应条件:1.1 Reagents: Ammonia Borane Catalysts: Palladium,Ruthenium (Graphene Oxide-Supported),Graphene (Oxide) Solvents: Methanol; 1.5 H,Rt
  标题:Highly Efficient And Monodisperse Graphene Oxide Furnished Ru/pd Nanoparticles For The Dehalogenation Of Aryl Halides Via Ammonia Borane
  作者:Goeksu,Haydar; Yildiz,Yunus; Celik,Betuel; Yazici,Melike; Kilbas,Benan; Et Al
  参考文献:Chemistryselect 日期:2016 卷标:1(5) 页码:953-958]
  
  288-13-1 = 930-36-9
  反应条件:1.1 Catalysts: Alumina,Phosphoric Acid
  标题:Process And Catalysts For The Preparation Of N-Substituted Pyrazoles By Alkylation Of Pyrazoles With Alcohols Or Ethers
  参考文献:European Patent Organization]
  
  39806-90-1 = 930-36-9
  反应条件:1.1 Reagents: Sodium Borohydride Catalysts: Palladium (Aluminum Hydroxide Oxide-Supported),Aluminum Hydroxide Oxide (Complex With Palladium) Solvents: Methanol,Water; 1.5 H,Rt
  标题:A Practical And Highly Efficient Reductive Dehalogenation Of Aryl Halides Using Heterogeneous Pd/alo(Oh) Nanoparticles And Sodium Borohydride
  作者:Kara,Belguzar Yasemin; Yazici,Melike; Kilbas,Benan; Goksu,Haydar
  参考文献:Tetrahedron 日期:2016 卷标:72(39) 页码:5898-5902]
  
  288-13-1 + 512-56-1 = 930-36-9
  反应条件:1.1 3 H,100 °C
  标题:Synthesis Of Pinacol 1-Methyl-1H-Pyrazole-5-Boronate
  作者:Zhang,Yu-Juan; Xing,Lei; Chen,Guo-Liang
  参考文献:Jingxi Huagong Zhongjianti 日期:2013 卷标:43(6) 页码:27-28]
  
  288-13-1 = 930-36-9
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Water; < 30 °C1.2 70 Min,< 37 °C; 37 °C -> Rt; 2 H,Rt
  标题:An Improved Synthesis Of 1-Methyl-1H-Pyrazole-4-Boronic Acid Pinacol Ester And Its Corresponding Lithium Hydroxy Ate Complex: Application In Suzuki Couplings
  作者:Mullens,Peter R.
  参考文献:Tetrahedron Letters 日期:2009 卷标:50(49) 页码:6783-6786]
  
  16034-46-1 = 930-36-9 [标题:Reaction Conditions
  标题:Amination Of Isomeric Bromo-1-Methylnitropyrazoles
  作者:Perevalov,V. P.; Baryshnenkova,L. I.; Andreeva,M. A.; Manaev,Yu. A.; Denisova,I. A.; Et Al
  参考文献:Khimiya Geterotsiklicheskikh Soedinenii 日期:1983 卷标:(12) 页码:1672-5]
  
  288-13-1 = 930-36-9
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethyl Sulfoxide
  标题:Reissert Compound Formation With Fused Five-Membered Ring Heterocycles
  作者:Uff,Barrie C.; Ho,Yee Ping; Brown,David S.; Fisher,Ian; Popp,Frank D.; Et Al
  参考文献:Journal Of Chemical Research 日期:1989 卷标:(11) 页码:346-7]
  
  288-13-1 = 930-36-9
  反应条件:1.1 Rt -> 170 °C1.2 8 H,170 °C
  标题:N-Methylation Of Nitrogen-Containing Heterocycles With Dimethyl Carbonate
  作者:Ouk,Samedy; Thiebaud,Sophie; Borredon,Elisabeth; Chabaud,Bernard
  参考文献:Synthetic Communications 日期:2005 卷标:35(23) 页码:3021-3026]
  
  27258-04-4 = 930-36-9 + 90499-57-3 + 288-13-1 + 80510-03-8 + 289-95-2 [标题:Reaction Conditions
  标题:Flash Vacuum Pyrolysis Of Bis- And Tris(Pyrazol-1-Yl)Methane. A Radical Reaction
  作者:Perez,Jorge D.; Et Al
  参考文献:Tetrahedron 日期:1988 卷标:44(20) 页码:6429-34]
  
  6939-12-4 = 930-36-9 [标题:Reaction Conditions
  标题:The Retro-Diels-Alder Reaction. Part Ii. Dienophiles With One Or More Heteroatom
  作者:Rickborn,Bruce
  参考文献:Organic Reactions (Hoboken 日期:1998 卷标:53]
  
  288-13-1 = 930-36-9 [标题:Reaction Conditions
  标题:Method Of N-Alkylation Of Pyrazole
  参考文献:European Patent Organization]
  
  288-13-1 + 44124-85-8 = 930-36-9 [标题:Reaction Conditions
  标题:Trimethylselenonium Hydroxide: A New Methylating Agent
  作者:Yamauchi,Kiyoshi; Nakamura,Kazue; Kinoshita,Masayoshi
  参考文献:Tetrahedron Letters 日期:1979 卷标:(20) 页码:1787-90]
  
  288-13-1 = 930-36-9
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: Dicyclohexano-18-Crown-6 Solvents: Ethanol,Water1.2 Solvents: Diethyl Ether
  标题:N-Alkylation Of Pyrazole In The Presence Of Crown Compounds
  作者:Gorodnyuk,V. P.; Grigorash,R. Ya.; Chuprin,G. N.; Zlotskii,S. S.; Kotlyar,S. A.; Et Al
  参考文献:Bashkirskii Khimicheskii Zhurnal 日期:2001 卷标:8(1) 页码:3-4]
  
  4637-24-5 + 288-13-1 = 930-36-9
  反应条件:1.1 Solvents: Dimethylformamide; Rt; 4 H,90 °C
  标题:Alkylation Method Of Nitrogen-Containing Hydrogen Compound And Its Application
  参考文献:China]
  
  102-52-3 = 930-36-9
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water1.2 -
  标题:Preparation Of Pyrazoles By Treatment Of 1,3-Dicarbonyl Compound Bisacetals With Hydrazines Under Simultaneous Separation Of Resulting Hydroxy Compound By Distillation And Chemical Reprocessing Of The Organic-Aqueous Phase
  参考文献:Germany]
  
  288-13-1 + 512-56-1 = 930-36-9 [标题:Reaction Conditions
  标题:Esters Of Phosphorus Oxy-Acids As Alkylating Agents. Ii. N-Alkylation Of Imidazole And Related Heterocyclic Compounds With Trialkyl Phosphates
  作者:Yamauchi,Kiyoshi; Kinoshita,Masayoshi
  参考文献:Journal Of The Chemical Society 日期:1973 卷标:(21) 页码:2506-8]
  
  4637-24-5 + 288-13-1 = 930-36-9
  反应条件:1.1 Solvents: Dimethylformamide; 4 H,90 °C
  标题:N-Alkylation Of N-H Compounds In N,N-Dimethylformamide Dialkyl Acetal
  作者:Zhao,Hui; Zhu,Xiaoyun; Hu,Xiaoxia; Liu,Yan-Ge; Tang,Chunlei; Et Al
  参考文献:Youji Huaxue 日期:2019 卷标:39(2) 页码:434-442]
  
  288-13-1 = 930-36-9
  反应条件:1.1 140 °C1.2 8 H,140 °C
  标题:Process For The Monomethylation Of Nitrogen Containing Heterocycles With Dimethyl Carbonate
  参考文献:European Patent Organization]
  
  288-13-1 = 930-36-9 [标题:Reaction Conditions
  标题:N-Alkylation Of Nitrogen Heterocyclic Compounds With Dialkyl Phosphites
  作者:Hayashi,Masahiro; Yamauchi,Kiyoshi; Kinoshita,Masayoshi
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1977 卷标:50(6) 页码:1510-12]
  
  288-13-1 = 930-36-9 [标题:Reaction Conditions
  标题:Esters Of Phosphorus Oxy Acids As Alkylating Agents. Iv. N-Alkylation Of Imidazole And Its Analogs With Alkyl Esters Of Phosphonic And Phosphinic Acids
  作者:Hayashi,Masahiro; Yamauchi,Kiyoshi; Kinoshita,Masayoshi
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1976 卷标:49(1) 页码:283-4]
  
  288-13-1 = 930-36-9
  反应条件:1.1 Reagents: Sodium Hydroxide,Tetrabutylammonium Hydrogen Sulfate Solvents: Dichloromethane,Water; Rt -> 50 °C; 90 H,50 °C1.2 Reagents: Sodium Sulfite Solvents: Water; 50 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; Basified
  标题:Two-Stage Sonogashira Coupling Method In The Synthesis Of Auxin Active Acetylenes
  作者:Craig,G. Wayne; Eberle,Martin; Irminger,Bruno; Schuckenbohmer,Anegret; Laime,Yvette; Et Al
  参考文献:Heterocycles 日期:2007 卷标:71(9) 页码:1967-1974]
  
  80510-03-8 = 930-36-9 + 90499-57-3 + 288-13-1 + 80510-03-8 + 289-95-2 [标题:Reaction Conditions
  标题:Flash Vacuum Pyrolysis Of Bis- And Tris(Pyrazol-1-Yl)Methane. A Radical Reaction
  作者:Perez,Jorge D.; Et Al
  参考文献:Tetrahedron 日期:1988 卷标:44(20) 页码:6429-34

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