CAS: 91219-90-8; (4-Methoxy-3,5-Dimethylpyridin-2-yl)Methyl Acetate

该化合物是一种属于类丙烯衍生物的化学化合物.该物质具有由各种功能组,包括乙氧基甲基乙酰组和特定位置的甲氧基组,替代物的存在有助于其独特的化学特性,如潜在的再活性和溶性特性.通常,这种性质的化合物可能表现出生物活动,使它们对药物研究感兴趣.甲氧基组可以增强脂性,而丙氧基组则可能影响该化合物参与化学反应或与生物目标互动的能力.此外,分子结构表明,该化合物可能具有有机合成或作为生产更复杂的分子的中间体.在实验室环境中与该物质打交道时,应考虑许多有机化合物,安全数据和处理预防措施.

英文名称(4-Methoxy-3,5-Dimethylpyridin-2-yl)Methyl Acetate
中文名称(4-甲氧基-3,5-二甲基吡啶-2-基)乙酸甲酯
IUPAC名称(4-methoxy-3,5-dimethylpyridin-2-yl)methyl acetate
其它别名(4-甲氧基-3,5-二甲基吡啶-2-基)甲基乙酸酯; 4-Methoxy-2-Acetoxymethyl-3,5-Dimethylpyridine
CAS编号91219-90-8
MFCD编号:MFCD03701547
EINECS号:620-697-0
分子式:C11H15NO3
分子量:209.24
产品CID: 1947000
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
InChIKey: OKIMSBLHXKXTTE-UHFFFAOYSA-N
InChI=1S/C11H15NO3/c1-7-5-12-10(6-15-9(3)13)8(2)11(7)14-4/h5H,6H2,1-4H3…
计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数3.0

相似化合物

86604-78-6 102625-98-9 142913-07-3

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
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-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
危险品标志Xi
安全声明26-36
危险类别码36/37/38
WGK Germany3

欧盟法规

ECHA物质C&L通报

上下游产品

合成工艺路线路线简述

86604-80-0 = 91219-90-8
反应条件:1.1 Reagents: Acetic Anhydride Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane
标题:Improved Preparation Of 2-(Halomethyl)-3,5-Dimethyl-4-Methoxypyridine Hydrohalides,Intermediates For Omeprazole
参考文献:Spain]

86604-80-0 = 91219-90-8
反应条件:1.1 Reagents: Acetic Anhydride; 2 H,100 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 1 H,Rt2.1 Reagents: Pyridine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Tetrahydrofuran; 17 H,Rt
标题:Image-Guided Development Of Heterocyclic Sulfoxides As Ligands For Tau Neurofibrillary Tangles: From First-In-Man To Second-Generation Ligands
作者:Rafique,Waqas; Et Al
参考文献:Acs Omega 日期:2018 卷标:3(7) 页码:7567-7579]

86604-78-6 = 91219-90-8
反应条件:1.1 Reagents: Pyridine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Tetrahydrofuran; 17 H,Rt
标题:Image-Guided Development Of Heterocyclic Sulfoxides As Ligands For Tau Neurofibrillary Tangles: From First-In-Man To Second-Generation Ligands
作者:Rafique,Waqas; Et Al
参考文献:Acs Omega 日期:2018 卷标:3(7) 页码:7567-7579]

109371-20-2 = 91219-90-8
反应条件:1.1 Reagents: Sodium Hydroxide2.1 Reagents: Acetic Acid Solvents: Methanol,Toluene
标题:Simple,Convergent Synthesis Of The Piperazine-Linked Pyridine Derivatives: Microwave,Sonication And Conventional Methods
作者:Sharada,L. N.; Et Al
参考文献:Journal Of Pharmacy Research (Gurgaon 日期:2013 卷标:7(1) 页码:107-112]

109371-20-2 = 91219-90-8
反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 2 H,95 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized2.1 Reagents: Acetic Anhydride; 2 H,100 °C2.2 Reagents: Sodium Hydroxide Solvents: Water; 1 H,Rt3.1 Reagents: Pyridine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Tetrahydrofuran; 17 H,Rt
标题:Image-Guided Development Of Heterocyclic Sulfoxides As Ligands For Tau Neurofibrillary Tangles: From First-In-Man To Second-Generation Ligands
作者:Rafique,Waqas; Et Al
参考文献:Acs Omega 日期:2018 卷标:3(7) 页码:7567-7579]

74409-42-0 = 91219-90-8
反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid; 18 H,40 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 82.1 Reagents: Sodium; Rt -> 65 °C; 18 H,65 °C3.1 Rt -> 90 °C; 1.5 H,90 °C3.2 Reagents: Sodium Carbonate Solvents: Water; Ph 8
标题:Synthesis Of 2-Chloromethyl-4-Methoxy-3,5-Dimethylpyridine Hydrochloride
作者:Xu,Bao-Cai; Et Al
参考文献:Jingxi Huagong 日期:2004 卷标:21(1) 页码:67-69]

86604-79-7 = 91219-90-8
反应条件:1.1 Reagents: Tert-Butyl Hypochlorite Solvents: Ethanol; Rt; 3 H,75 °C2.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 2 H,95 °C2.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized3.1 Reagents: Acetic Anhydride; 2 H,100 °C3.2 Reagents: Sodium Hydroxide Solvents: Water; 1 H,Rt4.1 Reagents: Pyridine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Tetrahydrofuran; 17 H,Rt
标题:Image-Guided Development Of Heterocyclic Sulfoxides As Ligands For Tau Neurofibrillary Tangles: From First-In-Man To Second-Generation Ligands
作者:Rafique,Waqas; Et Al
参考文献:Acs Omega 日期:2018 卷标:3(7) 页码:7567-7579]

86604-80-0 = 91219-90-8
反应条件:1.1 Rt -> 90 °C; 1.5 H,90 °C1.2 Reagents: Sodium Carbonate Solvents: Water; Ph 8
标题:Synthesis Of 2-Chloromethyl-4-Methoxy-3,5-Dimethylpyridine Hydrochloride
作者:Xu,Bao-Cai; Et Al
参考文献:Jingxi Huagong 日期:2004 卷标:21(1) 页码:67-69]

86604-80-0 = 91219-90-8
反应条件:1.1 Reagents: Acetic Acid Solvents: Methanol,Toluene
标题:Diversified Synthesis Of Novel Quinoline And Dibenzothiazepine Derivatives Using Known Active Intermediates
作者:Sharada,L. N.; Et Al
参考文献:Asian Journal Of Chemistry 日期:2013 卷标:25(14) 页码:7959-7966]

86604-80-0 = 91219-90-8
反应条件:1.1 Reagents: Acetic Acid Solvents: Methanol,Toluene
标题:Simple,Convergent Synthesis Of The Piperazine-Linked Pyridine Derivatives: Microwave,Sonication And Conventional Methods
作者:Sharada,L. N.; Et Al
参考文献:Journal Of Pharmacy Research (Gurgaon 日期:2013 卷标:7(1) 页码:107-112]

= 91219-90-8 [标题:Reaction Conditions
标题:Identification Of Two Main Urinary Metabolites Of [14C]Omeprazole In Humans
作者:Renberg,Lars; Et Al
参考文献:Drug Metabolism And Disposition 日期:1989 卷标:17(1) 页码:69-76]

= 91219-90-8 [标题:Reaction Conditions
标题:2,3,5-Trimethylpyridine Derivatives
参考文献:Japan]

= 91219-90-8 [标题:Reaction Conditions
标题:Preparation Of Benzimidazolylpyridinium Compounds And Their Pharmaceutical Compositions As Antiulcer Agents
参考文献:Japan]

109371-20-2 = 91219-90-8
反应条件:1.1 Reagents: Sodium Hydroxide2.1 Reagents: Acetic Acid Solvents: Methanol,Toluene
标题:Diversified Synthesis Of Novel Quinoline And Dibenzothiazepine Derivatives Using Known Active Intermediates
作者:Sharada,L. N.; Et Al
参考文献:Asian Journal Of Chemistry 日期:2013 卷标:25(14) 页码:7959-7966]

86604-79-7 = 91219-90-8
反应条件:1.1 Reagents: Sodium; Rt -> 65 °C; 18 H,65 °C2.1 Rt -> 90 °C; 1.5 H,90 °C2.2 Reagents: Sodium Carbonate Solvents: Water; Ph 8
标题:Synthesis Of 2-Chloromethyl-4-Methoxy-3,5-Dimethylpyridine Hydrochloride
作者:Xu,Bao-Cai; Et Al
参考文献:Jingxi Huagong 日期:2004 卷标:21(1) 页码:67-69]

86604-79-7 = 91219-90-8
反应条件:1.1 Reagents: Phosphorus Oxychloride; 3 - 4 H,Reflux2.1 Reagents: Sodium Hydroxide3.1 Reagents: Acetic Acid Solvents: Methanol,Toluene
标题:Diversified Synthesis Of Novel Quinoline And Dibenzothiazepine Derivatives Using Known Active Intermediates
作者:Sharada,L. N.; Et Al
参考文献:Asian Journal Of Chemistry 日期:2013 卷标:25(14) 页码:7959-7966]

86604-79-7 = 91219-90-8
反应条件:1.1 Reagents: Phosphorus Oxychloride; 3 - 4 H,Reflux2.1 Reagents: Sodium Hydroxide3.1 Reagents: Acetic Acid Solvents: Methanol,Toluene
标题:Simple,Convergent Synthesis Of The Piperazine-Linked Pyridine Derivatives: Microwave,Sonication And Conventional Methods
作者:Sharada,L. N.; Et Al
参考文献:Journal Of Pharmacy Research (Gurgaon 日期:2013 卷标:7(1) 页码:107-112

2,3,5-三甲基吡啶 1-氧化物置于硝酸,Sodium Methylate体系中,用溶剂黄146 作为反应溶剂,化学反应 51.0H,反应生成 2-(乙酰氧基甲基)-4-甲氧基-3,5-二甲基吡啶
参考文献:(h +,K +)-Atpase抑制2-[((2-吡啶基甲基)亚磺酰基]苯并咪唑 4.具有增加的选择性的一系列新的二甲氧基吡啶基取代的抑制剂.选择of托拉唑作为临床候选药物.
标题:(h +,K +)-Atpase抑制2-[((2-吡啶基甲基)亚磺酰基]苯并咪唑 4.具有增加的选择性的一系列新的二甲氧基吡啶基取代的抑制剂.选择of托拉唑作为临床候选药物.
摘要:[(吡啶基甲基)亚磺酰基]苯并咪唑1(psbs)是一类高度有效的抗分泌(h +,K +)-Atpase抑制剂,需要通过酸激活才能形成其活性成分,即环亚磺酰胺4.(h +,K +)-Atpase在体内仅在低ph时会产生非选择性的亲硫基4,从而避免了与体内其他巯基的相互作用.进行酸催化转化的倾向取决于2形成中所涉及的官能团的亲核/亲电性质,因为该步骤既决定速率又取决于ph.这项研究的目的是鉴定在具有酸性ph值的刺激胃腺中具有高(h +,K +)-Atpase抑制活性的化合物,但在体外ph值(na +,K +)-Atpase抑制活性.仔细研究了所有衍生物中存在的吡啶4-甲氧基取代基侧面的取代基的关键影响.3-甲氧基的引入使得抑制剂具有与奥美拉唑和兰索拉唑相似的高效力组合,但是增加了稳定性.这些研究的结果是,化合物1A(inn Top托拉唑)被选作候选药物,目前正在进行iii期临床研究.
DOI:10.1021/jm00084A010

海关参考信息

2912110000-甲醛
2912120000-乙醛
2915110000-甲酸
2915211900-乙酸
💡 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

专利号:US-6437139-B1
优先权日:1997-05-06
标题 :Synthesis of pharmaceutically useful pyridine derivatives
发明人：ZOGHBI MICHEL; CHEN LIQUIN
权利人:PDI RES LAB INC
摘要:A process is provided for the preparation of compounds of formula I,useful in the preparation of compounds such as Omeprazole, Lansoprazole and Pantoprazole, wherein R1=H or CH3, R2=H or CH3, R3=Alkoxy (1-4C), OCH2CF3, Cyano, Hydrogen, Halogen, Acetoxy or Aryloxy, any electron withdrawing group or salts (organic or inorganic) of electron donating groups, R=Alkoxy, Hydroxy, Halogen, Activated ester, Tosylate, Mesylate, Thiol or Xanthyl, wherein the process for the preparation of compound of formula I employs a free radical reaction to functionalize the 2-position.

专利号:US-6121454-A
优先权日:1997-05-06
标题 :Synthesis of pharmaceutically useful pyridine derivatives
发明人：ZOGHBI MICHEL; CHEN LIQUIN
权利人:PDI RESEARCH LAB INC
摘要:A process is provided for the preparation of compounds of formula I, useful in the preparation of compounds such as Omeprazole, Lansoprazole and Pantoprazole, wherein R1=H or CH3, R2=H or CH3, R3=Alkoxy (1-4C), OCH2CF3, Cyano, Hydrogen, Halogen, Acetoxy or Aryloxy, any electron withdrawing group or salts (organic or inorganic) of electron donating groups, R=Alkoxy, Hydroxy, Halogen, Activated ester, Tosylate, Mesylate, Thiol or Xanthyl, wherein the process for the preparation of compound of formula I employs a free radical reaction to functionalize the 2-position.