CAS: 95635-55-5; N-(2,6-Dimethylphenyl)-2-(4-(2-Hydroxy-3-(2-Methoxyphenoxy)Propyl)Piperazin-1-yl)Acetamide

• 英文名称N-(2,6-Dimethylphenyl)-2-(4-(2-Hydroxy-3-(2-Methoxyphenoxy)Propyl)Piperazin-1-yl)Acetamide
• 中文名称雷诺嗪
• IUPAC名称N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-3-(2-methoxyphenoxy)propyl)piperazin-1-yl)acetamide
• 其它别名N-(2,6-Dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
• CAS编号95635-55-5
• MFCD编号:MFCD00864690
• EINECS号:620-450-7
• 分子式:C24H33N3O4
• 分子量:427.55
• 产品CID: 2009780
• 产品分类生物化工 → 抑制剂 → 跨膜转运体(Transmembrane Transporters)

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: XKLMZUWKNUAPSZ-UHFFFAOYNA-N
• InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3…
• 计算化学: 氢键受体数6.0氢键供体数2.0可旋转键数9.0

物理性质

• 熔点119-1200C
• 沸点624.1±55.0 °C at 760 mmHg
• 闪点331.2±31.5 °C
• 密度1.2±0.1 g/cm3
• pKa:14.06±0.20(预测)
• PSA:74.27
• LogP:3.47
• 折射率1.586
• 蒸汽压0.0±1.9 mmHg at 25°C
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 外观形态白色固体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用作治疗慢性心血管炎的抗黄素药物;它减少了心律不齐的发病率,包括心血管不齐,新发性纤维炎和由冠状动脉疾病引起的心肌炎. 它的行动机制包括部分抑制脂肪酸新陈代谢和提倡更高氧效率的葡萄糖新陈谢,从而提高心肌氧的利用率,并减轻心肌缺氧患者的症状.

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)
  特定目标器官毒性 - 单次接触 类别3
  生殖毒性 类别2
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  特定目标器官毒性-重复接触 类别2
  急性毒性 类别3(经口)
  皮肤腐蚀/刺激 类别2
  STOT SE 2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H336 |可能引起嗜睡或头晕.
  H361 |怀疑对生育能力或胎儿造成损害.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H373 |长期或反复接触可能损害器官.
  H301 |吞咽会中毒.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H371 |可能损害器官.
• 防范说明P264-P270-P301+P312-P330-P501
• UN编号UN 2811 6.1 / PGIII
• 危险品标志Xi
• 安全声明High doses of ranolazine can cause dose-dependent increases in dizziness, tremors, dysphagia, hallucinations, unsteady gait, nausea, and vomiting. Supportive therapy should be given in cases of overdose. ECG monitoring may be necessary if a ranolazine overdose occurs. Ranolazine is about 62% bound to plasma proteins, so hemodialysis is not adequate for an overdose.
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 Ranolazine 主要起始原料 Guaiacol Glycidyl Ether And N-(2,6-Diphenylmethyl)-1-Piperazine Acetylamine
• 2210-74-4 + 5294-61-1 = 95635-55-5
  反应条件:1.1 2 H,Reflux
  标题:Synthesis Of Ranolazine
  作者:Lu,Wenchao; Li,Yingqi; Zhao,Xianglin; Guo,Chun; Zhou,Kai
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2004 卷标:35(11) 页码:641-642]
  
  842132-45-0 + 5294-61-1 = 95635-55-5
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Ethanol,Toluene; 3 H,Reflux
  标题:Method For Preparation Of Ranolazine
  参考文献:World Intellectual Property Organization]
  
  2210-74-4 + 93993-03-4 = 95635-55-5
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol,Water; 16 H,Reflux1.2 1 H,Reflux1.3 Solvents: Isopropanol; 2 H,Reflux; Reflux -> 5 °C; 3 H,0 - 5 °C
  标题:A Process For The Preparation Of Ranolazine
  参考文献:India]
  
  2210-74-4 + 5294-61-1 = 95635-55-5
  反应条件:1.1 Solvents: Isopropanol; 90 - 100 °C; 1.5 H,90 - 100 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:Synthesis Of Anti-Angina Drug Ranolazine
  作者:Zhao,Yi; Wu,Xiao-Wei; Wu,Wei; He,Guang-Li; Jin,Hui
  参考文献:Huaxi Yaoxue Zazhi 日期:2012 卷标:27(6) 页码:613-615]
  
  2210-74-4 + 5294-61-1 = 95635-55-5
  反应条件:1.1 Solvents: Toluene,Tetrahydrofuran; Overnight,Reflux
  标题:A Process For Preparing Ranolazine
  参考文献:China]
  
  95635-56-6 = 95635-55-5
  反应条件:1.1 Reagents: Ammonia Solvents: Water; 20 Min,Rt
  标题:Synthesis Of A Novel Antianginal Agent Ranolazine
  作者:Li,Shu-Chun; Huang,He-Qing; Li,Zhong-Jun
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2003 卷标:13(5) 页码:283-285]
  
  2210-74-4 + 5294-61-1 = 95635-55-5
  反应条件:1.1 Reagents: Cyclohexanone Solvents: Isopropanol; Rt -> 80 °C; 2.5 H,75 - 80 °C
  标题:Preparation Of Ranolazine With High Purity
  参考文献:China]
  
  90-05-1 + 1427177-23-8 = 95635-55-5
  反应条件:1.1 Reagents: Cesium Carbonate Solvents: Water; 5 H,80 °C
  标题:Improved Process For The Total Synthesis Of Ranolazine
  参考文献:India]
  
  90-05-1 + 1427177-23-8 = 95635-55-5
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Water; 5 H,90 °C; 90 °C -> Rt1.2 Reagents: Sodium Bicarbonate; Neutralized,Rt
  标题:"All Water Chemistry" For A Concise Total Synthesis Of The Novel Class Anti-Anginal Drug (Rs),(R),And (S)-Ranolazine
  作者:Kommi,Damodara N.; Kumar,Dinesh; Chakraborti,Asit K.
  参考文献:Green Chemistry 日期:2013 卷标:15(3) 页码:756-767]
  
  2210-74-4 + 5294-61-1 = 95635-55-5
  反应条件:1.1 Solvents: Ethanol; Rt -> Reflux; 2 - 3 H,Reflux
  标题:Process For Preparation Of Ranolazine
  参考文献:China]
  
  2210-74-4 + 5294-61-1 = 95635-55-5
  反应条件:1.1 Solvents: Isopropanol; Rt -> 83 °C; 3 H,82 - 83 °C
  标题:Preparation Of Ranolazine
  参考文献:World Intellectual Property Organization]
  
  2210-74-4 + 5294-61-1 = 95635-55-5
  反应条件:1.1 Solvents: Acetone; 8 - 9 H,Reflux; 30 Min,Reflux
  标题:A Process For The Preparation Of Ranolazine And Intermediates Thereof
  参考文献:India]
  
  2210-74-4 + 5294-61-1 = 95635-55-5
  反应条件:1.1 Solvents: Methanol; 5 H,60 °C
  标题:Method For Preparing Ranolazine
  参考文献:China]
  
  2210-74-4 + 5294-61-1 = 95635-55-5
  反应条件:1.1 Catalysts: Chlorosulfonic Acid (Reaction Product With Sodium Tungstate),Sodium Tungsten Oxide (Na2Wo4) (Reaction Product With Chlorosulfonic Acid); 20 Min,70 °C
  标题:An Efficient Protocol For Regioselective Ring Opening Of Epoxides Using Sulfated Tungstate: Application In Synthesis Of Active Pharmaceutical Ingredients Atenolol,Propranolol And Ranolazine
  作者:Pathare,Sagar P.; Akamanchi,Krishnacharya G.
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(48) 页码:6455-6459]
  
  2210-74-4 + 5294-61-1 = 95635-55-5
  反应条件:1.1 Solvents: Methanol; 3 H,Reflux
  标题:Synthesis Of Ranolazine
  参考文献:China]
  
  2210-74-4 + 5294-61-1 = 95635-55-5
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Ethanol; 2 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 21.3 Reagents: Sodium Hydroxide Solvents: Water; Ph 12
  标题:Synthesis Of N-(2,6-Dimethylphenyl)-4-[2-Hydroxy-3-(2-Methoxyphenoxy)Propyl]-1-Piperazineacetamide (Ranolazine)
  作者:Zheng,Jin'E; Tang,Jun; Luo,Zhi; Xiang,Guangya
  参考文献:Zhongguo Yaoshi (Wuhan 日期:2007 卷标:10(12) 页码:1176-1177]
  
  2210-74-4 + 1131-01-7 = 95635-55-5
  反应条件:1.1 Solvents: Water; 7 H,Reflux; 25 - 30 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 5.5 - 6.0,25 - 30 °C1.3 Solvents: Methanol; 5 - 6 H,Reflux
  标题:A Novel Process For The Preparation Of Ranolazine Via Alkylation Of Piperazine Monophosphate Monohydrate With (2,6-Dimethylphenyl)Aminocarbonylmethyl Chloride
  参考文献:India]
  
  2210-74-4 + 1131-01-7 = 95635-55-5
  反应条件:1.1 Reagents: Phosphoric Acid Solvents: Dimethylformamide,Water; 7 - 8 H,Ph 5 - 5.5,Reflux; 25 - 30 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 5.5 - 6,25 - 30 °C1.3 Solvents: Methanol,Dichloromethane; 5 - 6 H,Reflux
  标题:A Novel Process For The Preparation Of Ranolazine Via Alkylation Of Piperazine Monophosphate Monohydrate With 2,6-Dimethylphenyl)Aminocarbonylmethyl Chloride
  参考文献:World Intellectual Property Organization]
  
  2210-74-4 + 5294-61-1 = 95635-55-5
  反应条件:1.1 Solvents: Methanol; Rt -> Reflux; 3 H,Reflux
  标题:Improved Synthesis Method Of Ranolazine As Antianginal Drugs
  参考文献:China]
  
  2210-74-4 + 5294-61-1 = 95635-55-5
  反应条件:1.1 Solvents: Methanol,Toluene; 9 H,65 °C
  标题:Synthesis Of Ranolazine Metabolites And Their Anti-Myocardial Ischemia Activities
  作者:Yao,Zhangyu; Gong,Shubo; Guan,Teng; Li,Yunman; Wu,Xiaoming; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:2009 卷标:57(11) 页码:1218-1222

海关参考信息

• 2902300000-甲苯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 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