CAS: 932-16-1; 1-(1-Methyl-1H-Pyrrol-2-yl)Ethanone

• 英文名称1-(1-Methyl-1H-Pyrrol-2-yl)Ethanone
• 中文名称1-(1-甲基-1H-吡咯-2-基)乙-1-酮
• IUPAC名称1-(1-methylpyrrol-2-yl)ethanone
• 其它别名2-乙酰基-1-甲基吡咯; N-Methyl-2-Acetylpyrrole
• CAS编号932-16-1
• MFCD编号:MFCD00003089
• EINECS号:213-247-6
• FDA UNII编号:6712EFN084
• 分子式:C7H9NO
• 分子量:123.15
• 产品CID: 1970564
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡咯类化合物

• 相似结构搜索
• 产品信息参考;;
• InChIKey: NZFLWVDXYUGFAV-UHFFFAOYSA-N
• InChI=1S/C7H9NO/c1-6(9)7-4-3-5-8(7)2/h3-5H,1-2H3…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数1.0

相似化合物

物理性质

• 沸点200-202 °C at 760 mmHg
• 闪点68°C
• 密度1.04 g/mL at 25 °C (文献)
• pKa:-7.46±0.70(预测)
• PSA:22.0
• LogP:1.2277
• 折射率n 20/D 1.542(文献)
• 蒸汽压0.292 mmHg at 25 °C
• 溶解性Soluble (in ethanol)
• 外观形态无色至黄色至橙色透明液体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于光谱素磺化的催化剂.
• 性质描述沸点200-202°C,密度1.04g/mLat25°C,折光率n20/D1.542,闪点155°F

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述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
• 危险等级IRRITANT
• 安全声明24/25
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 127-19-5 + 96-54-8 = 932-16-1
  反应条件:1.1 Reagents: Triphosgene Solvents: Carbon Tetrachloride; 15 Min,0 °C; 15 - 30 Min,0 °C1.2 0 °C; 1 H,40 - 50 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; 0 °C -> Rt
  标题:Vilsmeier-Haack Preparation Of 2-Acylpyrroles Using Bis(Trichloromethyl)Carbonate And N,N-Dimethylacylamines
  作者:Shi,X. J.; Su,W. K.; Shan,W. G.
  参考文献:Journal Of The Indian Chemical Society 日期:2005 卷标:82(11) 页码:1019-1021]
  
  2540-06-9 = 932-16-1
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: Palladium(2+),Bis(Acetonitrile)(7-Methyl-6-Phenylimidazo[1,2-A][1,8]Naphthyridi... Solvents: Acetonitrile; 12 H,45 °C
  标题:Electronic Asymmetry Of An Annelated Pyridyl-Mesoionic Carbene Scaffold: Application In Pd(Ii)-Catalyzed Wacker-Type Oxidation Of Olefins
  作者:Saha,Sayantani; Yadav,Suman; Reshi,Noor U. Din; Dutta,Indranil; Kunnikuruvan,Sooraj; Et Al
  参考文献:Acs Catalysis 日期:2020 卷标:10(19) 页码:11385-11393]
  
  17455-13-9 + 1072-83-9 = 932-16-1 [标题:Reaction Conditions
  标题:Alkylation Of 2-Acetylpyrrole And 1-Alkyl-2-Acetylpyrroles Under Solid/liquid Phase-Transfer Conditions
  作者:Gol'Dberg,Yu.; Abele,E.; Shymanskaya,M.
  参考文献:Synthetic Communications 日期:1991 卷标:21(4) 页码:557-62]
  
  127-19-5 + 96-54-8 = 932-16-1
  反应条件:1.1 Reagents: Cobalt Chloride (Cocl2)
  标题:The Vilsmeier Reaction Of Fully Conjugated Carbocycles And Heterocycles
  作者:Jones,Gurnos; Stanforth,Stephen P.
  参考文献:Organic Reactions (Hoboken 日期:1997 卷标:49]
  
  31785-72-5 = 932-16-1
  反应条件:1.1 Reagents: Hydrochloric Acid Catalysts: Benzonitrile
  标题:Pyrrole Studies. Xxvii. Utilization Of 1-Methyl-2-Pyrrolyllithium In The Synthesis Of 1-Methyl-2-Substituted Pyrroles
  作者:Brittain,Judith M.; Jones,R. Alan; Arques,Jose Sepulveda; Saliente,Teresa Aznar
  参考文献:Synthetic Communications 日期:1982 卷标:12(3) 页码:231-48]
  
  = 932-16-1 [标题:Reaction Conditions
  标题:Synthesis Of Acylpyrroles And Their Antiinflammatory And Analgesic Activities
  作者:Meng,Fanhao; Gao,Wenfang; Zhang,Shoufang
  参考文献:Shenyang Yaoke Daxue Xuebao 日期:1995 卷标:12(3) 页码:165-70]
  
  = 932-16-1 [标题:Reaction Conditions
  标题:Michael Addition Of [1H]Pyrrole
  作者:Matoba,Katsuhide; Yamazaki,Takao
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1982 卷标:30(7) 页码:2586-9]
  
  = 932-16-1 [标题:Reaction Conditions
  标题:Regioselective Photoaddition Of Pyrroles And Aliphatic Carbonyl Compounds. A New Synthesis Of 3(4)-Substituted Pyrroles
  作者:Jones,Guilford Ii; Gilow,Helmuth M.; Low,Julie
  参考文献:Journal Of Organic Chemistry 日期:1979 卷标:44(16) 页码:2949-51]
  
  = 932-16-1 [标题:Reaction Conditions
  标题:β-Acylpyrroles
  参考文献:Federal Republic Of Germany]
  
  = 932-16-1 [标题:Reaction Conditions
  标题:Formation Of N-Alkyl-2-Acylpyrroles And Aliphatic Aldimines In Model Nonenzymic Browning Reactions
  作者:Rizzi,George P.
  参考文献:Journal Of Agricultural And Food Chemistry 日期:1974 卷标:22(2) 页码:279-82]
  
  96-54-8 = 932-16-1
  反应条件:1.1 Catalysts: Ytterbium Triflate Solvents: N-Butylpyridinium Tetrafluoroborate; 1.5 H,Rt
  标题:Ytterbium(Iii) Trifluoromethanesulfonate Catalyzed Friedel-Crafts Acylation Of 1-Methylpyrrole In Ionic Liquid
  作者:Su,Weike; Wu,Chunlei; Su,Hao
  参考文献:Journal Of Chemical Research 日期:2005 卷标:(1) 页码:67-68]
  
  96-54-8 = 932-16-1
  反应条件:1.1 Catalysts: Zinc Triflate Solvents: Nitromethane; 4 H,Rt
  标题:Unexpectedly High Activity Of Zn(Otf)2.6H2O In Catalytic Friedel-Crafts Acylation Reaction
  作者:He,Fei; Wu,Huayue; Chen,Jiuxi; Su,Weike
  参考文献:Synthetic Communications 日期:2008 卷标:38(2) 页码:255-264]
  
  1072-83-9 = 932-16-1
  反应条件:1.1 Reagents: Dabco Solvents: Dimethylformamide; 24 H,92 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Oxidative Coupling Of Enolates Using Memory Of Chirality: An Original Enantioselective Synthesis Of Quaternary α-Amino Acid Derivatives
  作者:Mambrini,Antonin; Gori,Didier; Guillot,Regis; Kouklovsky,Cyrille; Alezra,Valerie
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(90) 页码:12742-12745]
  
  1072-83-9 = 932-16-1
  反应条件:1.1 Catalysts: Dabco Solvents: Dimethylformamide; 23 H,90 - 92 °C; 90 °C -> 21 °C
  标题:Green N-Methylation Of Electron Deficient Pyrroles With Dimethylcarbonate
  作者:Laurila,Michael L.; Magnus,Nicholas A.; Staszak,Michael A.
  参考文献:Organic Process Research & Development 日期:2009 卷标:13(6) 页码:1199-1201]
  
  118486-97-8 = 932-16-1
  反应条件:1.1 Catalysts: Dichlorobis(Triphenylphosphine)Palladium
  标题:New Method For The Synthesis Of 2-Acetylfuran,2-Acetylthiophene,And 2-Acetyl-N-Methylpyrrole
  作者:Yan,Shenggang; Wang,Shihua
  参考文献:Huaxue Shiji 日期:1993 卷标:15(4)]
  
  1786460-96-5 = 932-16-1
  反应条件:1.1 Reagents: Sodium Acetate Solvents: Water; 15 Min,Reflux
  标题:Reactions Of Nitrilium Salts With Indole And Pyrrole And Their Derivatives In The Synthesis Of Imines,Ketones And Secondary Amines
  作者:Giles,Robert G.; Heaney,Harry; Plater,M. John
  参考文献:Tetrahedron 日期:2015 卷标:71(39) 页码:7367-7385]
  
  156210-66-1 = 932-16-1
  反应条件:1.1 Reagents: Tributylstannane Catalysts: Azobisisobutyronitrile Solvents: Benzene
  标题:Desulfonylation Reactions
  作者:Alonso,Diego A.; Najera,Carmen
  参考文献:Organic Reactions (Hoboken 日期:2008 卷标:72 页码:367-656]
  
  = 932-16-1 [标题:Reaction Conditions
  标题:Oxidative Radical Cyclization To Pyrroles Under Reducing Conditions. Reductive Desulfonylation Of α-Sulfonylpyrroles With Tri-N-Butyltin Hydride
  作者:Antonio,Yulia; De La Cruz,Maria Elizabeth; Galeazzi,Edvige; Guzman,Angel; Bray,Brian L.; Et Al
  参考文献:Canadian Journal Of Chemistry 日期:1994 卷标:72(1) 页码:15-22]
  
  = 932-16-1 [标题:Reaction Conditions
  标题:Pyrrole Chemistry. Xvii. Alkylation Of The Pyrrolyl Ambident Anion
  作者:Wang,Nam-Chiang; Teo,Kang-Er; Anderson,Hugh J.
  参考文献:Canadian Journal Of Chemistry 日期:1977 卷标:55(23) 页码:4112-16]
  
  = 932-16-1 [标题:Reaction Conditions
  标题:Preparation And Photolysis Of Acyloins. Acylation Of Pyrroles And Indole
  作者:Ryang,Hong-Son; Sakurai,Hiroshi
  参考文献:Journal Of The Chemical Society 日期:1972 卷标:(2)]
  
  58569-87-2 + 96-54-8 = 932-16-1 + 932-62-7
  反应条件:1.1 Solvents: Chloroform; 0 °C; 156 H,Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Neutralized,0 °C
  标题:Photo-On-Demand Synthesis Of Vilsmeier Reagents With Chloroform And Their Applications To One-Pot Organic Syntheses
  作者:Liang,Fengying; Eda,Kazuo; Okazoe,Takashi; Wada,Akihiro; Mori,Nobuaki; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(9) 页码:6504-6517

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  2912120000-乙醛
  2914190090-其他无环酮
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