CAS: 93793-83-0; 2-Oxo-2-((3-(3-(Piperidin-1-Ylmethyl)Phenoxy)Propyl)Amino)Ethyl Acetate Hydrochloride

• 英文名称2-Oxo-2-((3-(3-(Piperidin-1-Ylmethyl)Phenoxy)Propyl)Amino)Ethyl Acetate Hydrochloride
• 中文名称罗沙替丁醋酸酯盐酸盐
• IUPAC名称2-oxo-2-((3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)amino)ethyl acetate hydrochloride
• 其它别名2-Acetoxy-N-(3-(M-(1-Piperidinylmethyl)Phenoxy)Propyl)Acetamide Hydrochloride ; 2-Oxo-2-((3-(3-(Piperidin-1-Ylmethyl)Phenoxy)Propyl)Amino)Ethyl Acetate Hydrochloride ; Acetamide, 2-Hydroxy-N-(3-(M-(Piperidinomethyl)Phenoxy)Propyl)-, Acetate (Ester), Hydro
• CAS编号93793-83-0
• MFCD编号:MFCD00941429
• EINECS号:685-494-1
• FDA UNII编号:60426GOR1E
• 分子式:C19H29ClN2O4
• 分子量:384.9
• 产品CID: 1979420
• 同类组份化合物CAS78273-80-0 (free base)93793-83-0 (Acetate Hydrochloride)78628-28-1 (roxatidine acetate)
• 产品分类生物化工 → 抑制剂 → 神经信号通路(Neuronal Signaling)

• 相似结构搜索
• InChIKey: FEWCTJHCXOHWNL-UHFFFAOYSA-N
• InChI=1S/C19H28N2O4.ClH/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21;/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23…
• 计算化学: 氢键受体数5.0氢键供体数2.0可旋转键数10.0

物理性质

• 熔点145-146°
• 沸点537.3 °C at 760 mmHg
• 闪点278.7 °C
• PSA:67.87
• LogP:3.2515
• 蒸汽压1.29E-11 mmHg at 25 °C
• 溶解性DMSO: 78 mg/mL; Ethanol: 12 mg/mL; Water: 77 mg/mL
• 外观形态白色至几乎白色粉末至晶体
• 储存条件在惰性气体(氮气或氩气)下 2-8°C
• 产品应用该化合物用于抑制胃酸分泌;一种抗溃素剂.

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)
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
• 防范说明P264-P270-P301+P312-P330-P501

欧盟法规

上下游产品

合成工艺路线路线简述

• 73278-98-5 + 13831-31-7 = 93793-83-0
  反应条件:1.1 Solvents: Dichloromethane; 0 °C; Rt
  标题:Preparation Method Of High-Purity Medicinal Roxatidine Acetate Hydrochloride For Treating Gastric Ulcer
  参考文献:China]
  
  127-08-2 + 108441-34-5 = 93793-83-0 [标题:Reaction Conditions
  标题:Synthesis Of Roxatidine Acetate Hydrochloride
  作者:Zhang,Aihua; Shen,Yipeng
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2005 卷标:36(12) 页码:732-733]
  
  127-08-2 + 108441-34-5 = 93793-83-0
  反应条件:1.1 Solvents: Dimethylformamide; 1 H,90 - 100 °C1.2 Reagents: Acetic Acid Solvents: Water; Ph 4.61.3 Reagents: Ammonium Hydroxide Solvents: Water; Ph 9.51.4 Reagents: Hydrochloric Acid Solvents: Ethyl Acetate; 0 - 5 °C
  标题:Phenoxypropylamines: Synthesis And Antiulcer Evaluation
  作者:Zhang,Hui; Zhang,Bao-Yan; Zhang,Qian-Yun; Zhao,Dong-Mei; Wang,Jia-Mei
  参考文献:Molecules 日期:2009 卷标:14(5) 页码:1818-1824]
  
  127-08-2 + 108441-34-5 = 93793-83-0
  反应条件:1.1 Solvents: Tetrahydrofuran; Rt -> 70 °C; 7 H,60 - 70 °C; 70 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran; Ph 5 - 6
  标题:Synthesis Of Roxatidine Acetate Hydrochloride With High Purity
  参考文献:China]
  
  = 93793-83-0 [标题:Reaction Conditions
  标题:Synthesis Of Roxatidine Acetate
  参考文献:China]
  
  = 93793-83-0 [标题:Reaction Conditions
  标题:A New Synthesis Of Roxatidine Acetate
  作者:Tarpanov,Velichko; Vlahov,Radoslav; Penkov,Miho; Krikorian,Dikran; Parushev,Stoyan; Et Al
  参考文献:Synthetic Communications 日期:1999 卷标:29(1) 页码:15-20]
  
  73278-98-5 + 13831-31-7 = 93793-83-0
  反应条件:1.1 Solvents: Dichloromethane; -5 - 5 °C; 1 H,-5 - 5 °C
  标题:High-Purity Roxatidine Hydrochloride Acetate And Its Intermediate And Its Preparation Method
  参考文献:China]
  
  78273-80-0 + 144-62-7 = 93793-83-0
  反应条件:1.1 Reagents: Ammonia Solvents: Ethyl Acetate,Water; Ph 101.2 Solvents: Acetic Acid; 1 H,Reflux1.3 Reagents: Ammonia Solvents: Water; Ph 101.4 Reagents: Hydrochloric Acid Solvents: Water; 30 Min,Ph 2,> 5 °C
  标题:Preparation Method Of Roxatidine Acetate Hydrochloride
  参考文献:China]
  
  = 93793-83-0
  反应条件:1.1 Solvents: Acetonitrile; 8 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Acetone,Water; Ph 2 - 3,0 °C; 1 H,-5 - 5 °C
  标题:Preparation Of Roxatidine Acetate Hydrochloride
  参考文献:China]
  
  73278-98-5 + 13831-31-7 = 93793-83-0
  反应条件:1.1 Solvents: Xylene; -10 - 0 °C; 0 °C -> 30 °C; 20 - 30 °C
  标题:Method For Preparing Roxatidineacetate Hydrochloride And Intermediate Thereof
  参考文献:World Intellectual Property Organization]
  
  73278-98-5 + 13831-31-7 = 93793-83-0
  反应条件:1.1 Solvents: Xylene; -10 - 0 °C; 0 °C -> 30 °C
  标题:Method For Preparing Roxatidine Acetate Hydrochloride And Intermediate Thereof
  参考文献:China]
  
  78273-80-0 + 144-62-7 = 93793-83-0
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Water; 20 - 25 °C1.2 Solvents: Acetic Acid; 2 H,Rt -> Reflux1.3 Reagents: Hydrochloric Acid Solvents: Acetone,Ethyl Acetate; 0 - 5 °C; 3 - 5 H,0 - 5 °C
  标题:Process For Preparation Of 3-(1-Piperidinyl Methyl) Phenol As Intermediate Of Roxatidine Acetate Hydrochloride
  参考文献:China]
  
  73278-98-5 + 13831-31-7 = 93793-83-0
  反应条件:1.1 Reagents: 4-Methylmorpholine Solvents: Dichloromethane; -5 - 5 °C; 1 H,-5 - 5 °C
  标题:Preparation Of High-Purity Roxatidine Hydrochloride Acetate
  参考文献:China]
  
  127-08-2 + 108441-34-5 = 93793-83-0
  反应条件:1.1 Solvents: Dimethylformamide; 2 H,90 - 100 °C
  标题:Synthesis Of Roxatidine Derivatives
  作者:Zhang,Hui; Zhang,Qian-Yun; Lin,Li; Cheng,Mao-Sheng
  参考文献:Hecheng Huaxue 日期:2008 卷标:16(3) 页码:364-366]
  
  100-83-4 + 6276-54-6 + 79-14-1 = 93793-83-0
  反应条件:1.1 Reagents: Sodium Borohydride Catalysts: Aluminum Chloride Solvents: Ethanol; 2 H,Cooled1.2 Reagents: Ammonia Solvents: Water; Ph 91.3 Reagents: Sodium Hydride Solvents: Dimethylformamide; 1 H1.4 Reagents: Potassium Hydroxide,Sodium Hydroxide Solvents: Dimethylformamide; 2 H1.5 Reagents: Acetic Acid Solvents: Water; Ph 51.6 Reagents: Ammonia Solvents: Water; Ph 91.7 Rt -> 210 °C; 1 H,200 - 210 °C; Cooled1.8 Reagents: Acetic Acid Solvents: Water; Ph 51.9 Reagents: Ammonia Solvents: Water; Ph 91.10 Reagents: Calcium Sulfate Solvents: Chloroform; 0.5 H; Rt1.11 Reagents: Acetic Acid Solvents: Water; Ph 51.12 Reagents: Ammonia; Ph 91.13 Reagents: Hydrochloric Acid Solvents: Ethanol,Ethyl Acetate,Water; 40 Min
  标题:Method For Preparing Roxatidine Acetate Hydrochloride
  参考文献:China]
  
  78273-80-0 = 93793-83-0
  反应条件:1.1 5 H,50 °C1.2 Reagents: Ammonium Hydroxide Solvents: Water
  标题:Method For Synthesizing Roxatidine Acetate Hydrochloride
  参考文献:China]
  
  73278-98-5 + 13831-31-7 = 93793-83-0
  反应条件:1.1 Reagents: Triethylamine Solvents: Toluene; Rt -> 10 °C; 0 - 10 °C1.2 Reagents: Hydrochloric Acid Solvents: Ethanol,Acetone; Ph 5.0 - 6.0
  标题:Method For Synthesis Of Roxatidine Acetate Hydrochloride
  参考文献:China]
  
  = 93793-83-0 [标题:Reaction Conditions
  标题:Method For Preparing Gastric Antiulcer Drug Roxatidine Acetate Hydrochloride
  参考文献:China]
  
  = 93793-83-0 [标题:Reaction Conditions
  标题:Synthesis And Gastric Acid Antisecretory Activity Of Phenoxypropylamine
  作者:Zhang,Hui; Zhao,Dong-Mei; Cheng,Mao-Sheng; Shang,Li-Hong
  参考文献:Zhongguo Xinyao Zazhi 日期:2005 卷标:14(3) 页码:316-319

海关参考信息

• 2902300000-甲苯
  2905121000-正丙醇
  2909110000-乙醚
  2912110000-甲醛
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