CAS: 93-60-7; 3-(Methoxycarbonyl)Pyridine

• 英文名称3-(Methoxycarbonyl)Pyridine
• 中文名称烟酸甲酯
• IUPAC名称methyl nicotinate
• 其它别名菸酸甲酯; Nicotinic Acid Methyl Ester
• CAS编号93-60-7
• MFCD编号:MFCD00006388
• EINECS号:202-261-8
• FDA UNII编号:7B1AVU9DJN
• 分子式:C7H7NO2
• 分子量:137.14
• 产品CID: 1975670
• 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: YNBADRVTZLEFNH-UHFFFAOYSA-N
• InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数1.0

相似化合物

物理性质

• 熔点39-42°C
• 沸点204°C at 760 mmHg
• 闪点96°C
• 密度1.1±0.1 g/cm3
• pKa:pKa 3.1 (Uncertain)
• PSA:39.19
• LogP:0.8682
• 折射率1.511
• 蒸汽压0.2±0.4 mmHg at 25°C
• 溶解性水: 0.1 G/ml, Clear
• 敏感性1. 存在于烤烟烟叶、白肋烟烟叶中。
• 外观形态白色至淡棕色晶体或结晶粉末
• 储存条件存储低于 +30°C.
• 产品应用该化合物用于治疗呼吸道疾病,血管疾病,风湿类动脉炎以及肌肉和联合疼痛. 在瓜瓦果,木瓜,草莓,酸盐(ANNA MURRICATA),啤酒,葡萄白兰地,咖啡,烤纤维,烤花和BOURBON香草中可以找到甲基尼科丁酸酯.
• 性质描述熔点38-43°C,沸点209°C,闪点95°C,水溶性NEGLIGIBLE

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
  呼吸道致敏 类别1
  急性毒性 类别4(经口)
  皮肤致敏 类别1
  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.
  H334 |吸入可能引起过敏或哮喘症状或呼吸困难.
  H302 |吞咽有害.
  H317 |可能引起皮肤过敏反应.
• 防范说明P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-36-37/39
• 危险类别码36/37/38-36/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 15905-18-7 = 93-60-7
  反应条件:1.1 Reagents: 3,5-Bis(1,1-Dimethylethyl) 1,4-Dihydro-2,6-Dimethyl-3,5-Pyridinedicarboxylate Catalysts: Iridium(1+),[4,4′-Bis(1,1-Dimethylethyl)-2,2′-Bipyridine-Kn1,Kn1′]Bis[2-(2-Pyri... Solvents: Acetonitrile; 1.5 H,Rt
  标题:Highly Chemoselective Deoxygenation Of N-Heterocyclic N-Oxides Using Hantzsch Esters As Mild Reducing Agents
  作者:An,Ju Hyeon; Kim,Kyu Dong; Lee,Jun Hee
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(3) 页码:2876-2894]
  
  1120-90-7 = 93-60-7
  反应条件:1.1 Reagents: Triethylamine Catalysts: Dichlorobis(Ethyldiphenylphosphine)Palladium (Silica Supported); 1.5 H,0.5 Mpa,100 °C
  标题:Silica Supported Palladium-Phosphine As A Reusable Catalyst For Alkoxycarbonylation And Aminocarbonylation Of Aryl And Heteroaryl Iodides
  作者:Mane,Rajendra Shivaji; Sasaki,Takehiko; Bhanage,Bhalchandra Mahadeo
  参考文献:Rsc Advances 日期:2015 卷标:5(115) 页码:94776-94785]
  
  15905-18-7 = 93-60-7
  反应条件:1.1 Reagents: Sodium Hypophosphite Catalysts: Palladium Solvents: Acetic Acid
  标题:Simple And Convenient Deoxygenation Of Heteroaromatic N-Oxides With Sodium Hypophosphite
  作者:Balicki,Roman; Kaczmarek,Lukasz
  参考文献:Gazzetta Chimica Italiana 日期:1994 卷标:124(9) 页码:385-6]
  
  15905-18-7 = 93-60-7
  反应条件:1.1 Reagents: Ammonium Formate,Carbon Catalysts: Palladium Solvents: Methanol
  标题:Efficient Deoxygenation Of Heteroaromatic N-Oxides With Ammonium Formate As A Catalytic Hydrogen Transfer Agent
  作者:Balicki,Roman
  参考文献:Synthesis 日期:1989 卷标:(8) 页码:645-6]
  
  100-55-0 = 93-60-7
  反应条件:1.1 Reagents: Potassium Carbonate,Oxygen Catalysts: Cobalt (Carbon Supported); 24 H,1 Bar,55 °C
  标题:A "Universal" Catalyst For Aerobic Oxidations To Synthesize (Hetero)Aromatic Aldehydes,Ketones,Esters,Acids,Nitriles,And Amides
  作者:Senthamarai,Thirusangumurugan; Chandrashekhar,Vishwas G.; Rockstroh,Nils; Rabeah,Jabor; Bartling,Stephan; Et Al
  参考文献:Chem 日期:2022 卷标:8(2) 页码:508-531]
  
  15905-18-7 = 93-60-7
  反应条件:1.1 Reagents: Dimethylphenylsilane Catalysts: Hydroxylapatite (Ca5(Oh)(Po4)3),Gold Solvents: 1,4-Dioxane; 1 H,1 Atm,30 °C
  标题:Preparation Of Pyridine Compounds By Deoxygenation Of Pyridine N-Oxides Using Supported Gold Nanoparticle Catalysts And Silanes
  参考文献:Japan]
  
  59-67-6 = 93-60-7
  反应条件:1.1 Reagents: Silica,Thionyl Chloride; 24 H,Reflux1.2 Reagents: Methanol Solvents: Water; 12 H,0 °C1.3 Catalysts: 12-Tungstophosphoric Acid; 6 H,Reflux
  标题:Efficient Methyl Esterification Using Methoxyl Silica Gel As A Novel Dehydrating Reagent
  作者:Li,Jian-Guo; Peng,Yan-Qing
  参考文献:Journal Of The Chinese Chemical Society (Taipei 日期:2010 卷标:57 页码:305-308]
  
  100-54-9 = 93-60-7
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol; 0 - 5 °C1.2 Solvents: Dichloromethane,Water; Neutralized
  标题:Preparation Of Nicotinate Compounds
  参考文献:China]
  
  100-55-0 = 93-60-7
  反应条件:1.1 Reagents: Potassium Carbonate,Oxygen Catalysts: Cobalt,1H-Imidazolium,3-(Cyanomethyl)-1-Methyl-,Chloride (1:1) Solvents: Methanol; 20 H,1 Bar,60 °C
  标题:Heterogeneous Cobalt Catalysts For Selective Oxygenation Of Alcohols To Aldehydes,Esters And Nitriles
  作者:Mao,Fei; Qi,Zhengliang; Fan,Haipeng; Sui,Dejun; Chen,Rizhi; Et Al
  参考文献:Rsc Advances 日期:2017 卷标:7(3) 页码:1498-1503]
  
  15905-18-7 = 93-60-7
  反应条件:1.1 Reagents: Titanium Tetrachloride,Sodium Iodide Solvents: Acetonitrile
  标题:Titanium Tetrachloride/sodium Iodide - A Novel,Efficient Reagent For Mild Reduction Of The Nitrogen-Oxygen Bond In Amine N-Oxides And Nitrones
  作者:Balicki,Roman
  参考文献:Chemische Berichte 日期:1990 卷标:123(3) 页码:647-8]
  
  500-22-1 = 93-60-7
  反应条件:1.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene Catalysts: 4H-1,2,4-Triazolium,4-Ethyl-1-Methyl-,Iodide (1:1) Solvents: Methanol,Tetrahydrofuran; 2 Min,Rt1.2 20 Min,Rt
  标题:Nhc-Catalysed Aerobic Aldehyde-Esterification With Alcohols: No Additives Or Cocatalysts Required
  作者:Delany,Eoghan G.; Fagan,Claire-Louise; Gundala,Sivaji; Mari,Alessandra; Broja,Thomas; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2013 卷标:49(58) 页码:6510-6512]
  
  40134-18-7 = 93-60-7 + 913836-18-7
  反应条件:1.1 Reagents: Acetyl Chloride,Sodium Iodide Solvents: Acetonitrile; 60 Min,80 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; Ph 8
  标题:Focus On Microwave Assisted Halogen-Halogen Exchange Reaction Conditions On 2-Halopyridines
  作者:Perato,Serge; Et Al
  参考文献:Current Microwave Chemistry 日期:2014 卷标:1(1) 页码:75-80]
  
  98-92-0 = 93-60-7
  反应条件:1.1 Reagents: Dimethylformamide Dimethyl Acetal Solvents: Methanol
  标题:Mild Conversion Of Primary Carboxamides Into Carboxylic Esters
  作者:Anelli,Pier Lucio; Brocchetta,Marino; Palano,Daniela; Visigalli,Massimo
  参考文献:Tetrahedron Letters 日期:1997 卷标:38(13) 页码:2367-2368]
  
  59-67-6 = 93-60-7
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 15 H,Reflux
  标题:Discovery And Computer Aided Potency Optimization Of A Novel Class Of Small Molecule Cxcr4 Antagonists
  作者:Vinader,Victoria; Ahmet,Djevdet S.; Ahmed,Mohaned S.; Patterson,Laurence H.; Afarinkia,Kamyar
  参考文献:Plos One 日期:2013 卷标:8(10)]
  
  15905-18-7 = 93-60-7
  反应条件:1.1 Reagents: Triethylamine Catalysts: Palladium Diacetate,1,1-Bis(Diphenylphosphino)Ferrocene Solvents: Acetonitrile; 17 H,160 °C
  标题:Deoxygenation Of Pyridine N-Oxides By Palladium-Catalyzed Transfer Oxidation Of Trialkylamines
  作者:Fuentes,Jose A.; Clarke,Matthew L.
  参考文献:Synlett 日期:2008 卷标:(17) 页码:2579-2582]
  
  15905-18-7 = 93-60-7
  反应条件:1.1 Reagents: Trifluoroacetic Anhydride,Sodium Iodide Solvents: Acetonitrile
  标题:Selective And Mild Reduction Of The Nitrogen-Oxygen Bond In N-Oxides And Nitrones With The (Cf3Co)2O/nai System
  作者:Balicki,Roman
  参考文献:Gazzetta Chimica Italiana 日期:1990 卷标:120(1) 页码:67-8]
  
  80-11-5 + 59-67-6 = 93-60-7
  反应条件:1.1 Reagents: Perfluorohexane,Potassium Hydroxide Solvents: Diethyl Ether,Ethanol,1,2-Dibromoethane; 24 H,25 °C
  标题:Safe And Facile Evolution Of Diazomethane Using The Phase-Vanishing Method
  作者:Kawabata,Toshiki; Matsubara,Hiroshi
  参考文献:Tetrahedron Letters 日期:2023 卷标:123]
  
  15905-18-7 = 93-60-7
  反应条件:1.1 Reagents: Dimethylphenylsilane Catalysts: Gold (Hydroxyapatite-Supported Nanoparticle) Solvents: 1,4-Dioxane; 1 H,30 °C
  标题:Highly Efficient Gold Nanoparticle Catalyzed Deoxygenation Of Amides,Sulfoxides,And Pyridine N-Oxides
  作者:Mikami,Yusuke; Noujima,Akifumi; Mitsudome,Takato; Mizugaki,Tomoo; Jitsukawa,Koichiro; Et Al
  参考文献:Chemistry - A European Journal 日期:2011 卷标:17(6) 页码:1768-1772]
  
  626-55-1 = 93-60-7
  反应条件:1.1 Reagents: Triethylamine Catalysts: (Sp-4-3)-[1,1′-(1,8-Anthracenediyldi-4,1-Phenylene)Bis[1,1-Diphenylphosphine-Kp]... Solvents: Methanol; 24 H,5 Bar,130 °C; 130 °C -> Rt
  标题:Trans-Chelating Ligands In Palladium-Catalyzed Carbonylative Coupling And Methoxycarbonylation Of Aryl Halides
  作者:Kaganovsky,Luba; Gelman,Dmitri; Rueck-Braun,Karola
  参考文献:Journal Of Organometallic Chemistry 日期:2009 卷标:695(2) 页码:260-266]
  
  59-67-6 = 93-60-7
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol; Rt; 19 H,Reflux
  标题:Direct C-H-Sulfonylation Of 6-Membered Nitrogen-Heteroaromatics
  作者:Friedrich,Marius; Schulz,Lisa; Hofman,Kamil; Zangl,Rene; Morgner,Nina; Et Al
  参考文献:Chemrxiv 日期:2021 卷标:1 页码:1-14]
  
  500-22-1 = 93-60-7
  反应条件:1.1 Reagents: Potassium Carbonate,Bromine Solvents: Methanol,Water; Rt; 2 H,Rt
  标题:Oxidative Esterification Of Aromatic Aldehydes Using Polymer-Supported Green Bromine
  作者:Sridhar,A.; Swarnalakshmi,S.; Selvaraj,M.
  参考文献:Synlett 日期:2016 卷标:27(9) 页码:1344-1348

海关参考信息

• 2912110000-甲醛
  2915110000-甲酸
  2933310010-吡啶
  2909199090-其他醚及其衍生物
• 💡 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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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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