CAS: 97928-18-2; 1-(4-(Tert-Butyl)Phenyl)-4-(4-Hydroxypiperidin-1-yl)Butan-1-One

• 英文名称1-(4-(Tert-Butyl)Phenyl)-4-(4-Hydroxypiperidin-1-yl)Butan-1-One
• 中文名称1-[3-(4-叔丁基苯甲酰)丙基]-4-羟基哌啶
• IUPAC名称1-(4-(tert-butyl)phenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one
• 其它别名1-[4-(1,1-Dimethylethyl)Phenyl]-4-(4-Hydroxy-1-Piperidinyl)-1-Butanone; Ebastine Related Compound D; 1-[4-(1,1-Dimethylethyl)Phenyl]-4-(4-Hydroxypiperidin-1-yl)Butan-1-One; 1-(4-(Tert-Butyl)Phenyl)-4-(4-Hydroxypiperidin-1-yl)Butan-1-One; Ebastine Ep Impurity D; 1-[4-(1,1-Dimethylet...; 1-[3-(4-Tert-Butylbenzoyl)-Propyl]-4-; 1-[4-(1,1-Dimethylethyl)Phenyl]-4-(
• CAS编号97928-18-2
• MFCD编号:MFCD09753739
• EINECS号:619-298-4
• FDA UNII编号:ZGA75UV2KC
• 分子式:C19H29NO2
• 分子量:303.45
• 产品CID: 2023590
• 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: HUFTWIJFTZKVMR-UHFFFAOYSA-N
• InChI=1S/C19H29NO2/c1-19(2,3)16-8-6-15(7-9-16)18(22)5-4-12-20-13-10-17(21)11-14-20/h6-9,17,21H,4-5,10-14H2,1-3H3…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数6.0

物理性质

• 熔点70-73 °C
• 沸点450.8±40.0 °C at 760 mmHg
• 闪点226.5±27.3 °C
• 密度1.0±0.1 g/cm3
• pKa:14.87±0.20(预测)
• PSA:40.54
• LogP:2.73
• 折射率1.531
• 蒸汽压0.0±1.2 mmHg at 25°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 外观形态固体
• 储存条件冰箱

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H319 |造成严重眼刺激.
• 防范说明P305+P351+P338
• 危险品标志Xi
• 安全声明26
• 危险类别码36
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 43076-61-5 = 97928-18-2
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Toluene; 6 - 8 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3
  标题:Process For Preparation Of Ebastine From 1-[4-(1,1-Dimethylethyl)Phenyl]-4-(4-Hydroxy Piperidin-1-Yl)Butan-1-One And Diphenylmethanol.
  参考文献:World Intellectual Property Organization]
  
  43076-61-5 = 97928-18-2
  反应条件:1.1 Reagents: Triethylamine Solvents: Methyl Isobutyl Ketone; 6 - 8 H,Reflux
  标题:Process Of Preparing Ebastine
  参考文献:World Intellectual Property Organization]
  
  43076-61-5 = 97928-18-2
  反应条件:1.1 Reagents: Sodium Carbonate,Potassium Iodide Solvents: Acetone; Overnight,70 °C
  标题:Synthesis Of [2H5]-Ebastine Fumarate And [2H5]-Hydroxyebastine
  作者:Yu,Zhoujie; Wang,Wei; Chen,Liqin
  参考文献:Journal Of Labelled Compounds And Radiopharmaceuticals 日期:2011 卷标:54(7) 页码:352-356]
  
  43076-61-5 = 97928-18-2
  反应条件:1.1 Reagents: Sodium Bicarbonate Catalysts: Potassium Iodide Solvents: Toluene; 10 H,Reflux
  标题:Preparation Method Of High-Purity Ebastine Using 1-(4-Tert-Butylphenyl)-4-Chloro-1-Butanone
  参考文献:China]
  
  43076-61-5 = 97928-18-2
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Toluene; 6 - 8 H,Reflux
  标题:Ebastine,Non-Micronized Ebastine Particle And Pharmaceutical Compositions Comprising Ebastine
  参考文献:Germany]
  
  = 97928-18-2 [标题:Reaction Conditions
  标题:Process For Preparation Of Ebastine
  参考文献:China]
  
  = 97928-18-2 [标题:Reaction Conditions
  标题:Preparation Of Alkylpiperazines And Analogs As Histamine H1-Receptor Antagonists
  参考文献:United States]
  
  = 97928-18-2 [标题:Reaction Conditions
  标题:Piperidine Derivatives
  参考文献:European Patent Organization

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2905122000-异丙醇
  2912110000-甲醛
• 💡 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

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管