CAS: 953787-55-8; 2-(((6-(Difluoromethoxy)-1H-Benzo[d]Imidazol-2-yl)Sulfonyl)Methyl)-3,4-Dimethoxypyridine 1-Oxide

英文名称2-(((6-(Difluoromethoxy)-1H-Benzo[d]Imidazol-2-yl)Sulfonyl)Methyl)-3,4-Dimethoxypyridine 1-Oxide
中文名称泮托拉唑砜N-氧化物
IUPAC名称6-(difluoromethoxy)-2-[(3,4-dimethoxy-1-oxidopyridin-1-ium-2-yl)methylsulfonyl]-1H-benzimidazole
CAS编号953787-55-8
MFCD编号:MFCD09841143
分子式:C16H15F2N3O6S
分子量:415.37
产品CID: 2006818
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: BNTHABONYHEKQR-UHFFFAOYSA-N
1S/C16H15F2N3O6S/c1-25-13-5-6-21(22)12(14(13)26-2)8-28(23,24)16-19-10-4-3-9(27-15(17)18)7-11(10)20-16/h3-7,15H,8H2,1-2H3,(H,19,20)…
计算化学: 氢键受体数9.0氢键供体数1.0可旋转键数7.0

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P280-P301+P312-P302+P352-P305+P351+P338

上下游产品

5-(difluoromethoxy)-2-[[(3,4-dimethoxypyridin-2-yl-1-oxide)methyl]sulfanyl]-1H-benzoimidazole 2-chloromethyl-3,4-dimethoxypyridine-N-oxide 2-Chloromethyl-3,4-dimethoxy-pyridine; hydr°Chloride pantoprazole sulfide

合成工艺路线路线简述

102625-64-9 = 953787-55-8
反应条件:1.1 Reagents: Hydrogen Peroxide,Potassium Persulfate Solvents: Acetic Acid,Water; Rt -> 95 °C; 6 H,95 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; Neutralized
标题:Process For Preparation Of Pantoprazole Sodium Sulfone N-Oxide
参考文献:China]

102625-64-9 = 953787-55-8 + 127780-16-9
反应条件:1.1 Reagents: M-Chloroperbenzoic Acid Solvents: Dichloromethane; 30 Min,-10 °C; 10 H,-10 °C
标题:Synthesis Of The Impurity Of Pantoprazole [6-(Difluoromethoxy)-2-[[(3,4-Dimethoxy-2-Pyridinyl)Methyl]Sulfinyl]-1H-Benzimidazole]
作者:Chen,Shuai; Li,Wei; Tong,Yuan-Feng; Hao,Ling-Hua; Wu,Song
参考文献:Zhongguo Xinyao Zazhi 日期:2009 卷标:18(10) 页码:940-941]

953787-51-4 = 953787-55-8 + 953787-60-5
反应条件:1.1 Reagents: M-Chloroperbenzoic Acid Solvents: Dichloromethane; 145 Min,0 °C; 15 Min,0 °C
标题:Efficient Synthesis Of N-Oxide Derivatives: Substituted 2-(2-(Pyridyl-N-Oxide)Methylsulphinyl)Benzimidazoles
作者:Ray,Purna C.; Mittapelli,Vasantha; Rohatgi,Amit; Tyagi,Om Dutt
参考文献:Synthetic Communications 日期:2007 卷标:37(17) 页码:2861-2868

2-氯甲基-3,4-二甲氧基吡啶盐酸盐置于碳酸氢钠,Potassium Carbonate,间氯过氧苯甲酸体系中,用二氯甲烷,氯仿,N,N-二甲基甲酰胺作为反应溶剂,化学反应 5.09H,反应生成泮托拉唑砜n-氧化物
参考文献:Efficient Synthesis Of N‐oxide Derivatives: Substituted 2‐(2‐(Pyridyl‐n‐oxide)Methylsulphinyl)Benzimidazoles
标题:Efficient Synthesis Of N‐oxide Derivatives: Substituted 2‐(2‐(Pyridyl‐n‐oxide)Methylsulphinyl)Benzimidazoles
摘要:
DOI:10.1080/00397910701470693