CAS: 84057-95-4; (S)-N-(2,6-Dimethylphenyl)-1-Propylpiperidine-2-Carboxamide

• 英文名称(S)-N-(2,6-Dimethylphenyl)-1-Propylpiperidine-2-Carboxamide
• 中文名称柔匹华卡因
• IUPAC名称(S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
• 其它别名Ropivacaine; (S)-Ropivacaine; Ropivacainum; Ropivacaina; Naropin; Ropivacaine [inn]; Ropivacaine Hydrochloride; Ropivicaine; Noropine; Narop; Ropivacaina [spanish]; (S)-N-(2,6-Dimethylphenyl)-1-Propylpiperidine-2-Carboxamide; Ropivacainum [inn-Latin]; (2S)-
• CAS编号84057-95-4
• MFCD编号:MFCD00864425
• EINECS号:617-525-1
• FDA UNII编号:7IO5LYA57N
• 分子式:C17H26N2O
• 分子量:274.41
• 产品CID: 1829128
• 同类组份化合物CAS98717-15-8 (HCl)84057-95-4 (free base)
• 产品分类原料药 → 麻醉剂 → 局部麻醉剂

• 相似结构搜索
• 产品信息参考;;
• InChIKey: ZKMNUMMKYBVTFN-HNNXBMFYSA-N
• InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数4.0

物理性质

• 熔点144 - 146 °C
• 沸点410.2±45.0 °C at 760 mmHg
• 闪点201.9±28.7 °C
• 密度1.0±0.1 g/cm3
• PH:D25 -82.0° (c = 2 in methanol)
• pKa:8.16(at 25°C)
• PSA:32.34
• LogP:3.11
• 折射率1.552
• 蒸汽压0.0±1.0 mmHg at 25°C
• 溶解性Aqueous Acid (Slightly), Chloroform (Slightly), DMSO (Slightly)
• 敏感性单盐酸罗哌卡因(Ropivacaine Monohydr°Chloride)：C17H26N2O HCl。[98717-15-8]。从异丙醇结晶，熔点260-262°C。[α] D23-6.6°(C=2，水)。单盐酸罗哌卡因单水合物(Ropivacaine Monohydr°Chloride Monohydrate)：C17H126N2O HCI H2O。[132112-35-7]。从丙酮-水结晶，熔点269.5～270.6°C。[α] D20-7.28°(C=2，水)
• 外观形态白色至类白色固体
• 储存条件冰箱
• 产品应用罗哌卡因(84057-95-4)的用途:本品为氨基酰胺类局部麻醉药.用于外科,产程和手术后镇痛.

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
  水生慢性毒性 类别3
  急性毒性 类别4(吸入)
  急性毒性 类别4(经口)
  特定目标器官毒性-单次接触 类别1
• 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.
  H412 |对水生生物有害并具有长期持续影响.
  H332 |吸入有害.
  H302 |吞咽有害.
  H336 |可能引起嗜睡或头晕.
  H370 |损害器官.
• 防范说明P260-P264-P270-P271-P304+P340+P312-P308+P311
• 危险品标志Xi
• 安全声明36/37/39-26
• 危险类别码R36/37/38
• 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 Ropivacaine 主要起始原料 1-Bromopropane And (2S)-N-(2,6-Dimethylphenyl)-2-Piperidinecarboxamide)
• 27262-40-4 = 84057-95-4
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 80 °C
  标题:A Convenient And Highly Enantioselective Synthesis Of (S)-2-Pipecolic Acid: An Efficient Access To Caine Anesthetics
  作者:Yang,Yuyan; Et Al
  参考文献:Synthetic Communications 日期:2021 卷标:51(20) 页码:3084-3089]
  
  27262-40-4 + 33420-15-4 = 84057-95-4
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; Rt -> 80 °C; 5.5 H,80 °C; 80 °C -> Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Effect Of Partially Fluorinated N-Alkyl-Substituted Piperidine-2-Carboxamides On Pharmacologically Relevant Properties
  作者:Vorberg,Raffael; Et Al
  参考文献:Chemmedchem 日期:2016 卷标:11(19) 页码:2216-2239]
  
  27262-40-4 = 84057-95-4
  反应条件:1.1 Reagents: Sodium Triacetoxyborohydride Solvents: Dichloromethane
  标题:A Survey Of The Borrowing Hydrogen Approach To The Synthesis Of Some Pharmaceutically Relevant Intermediates
  作者:Leonard,John; Et Al
  参考文献:Organic Process Research & Development 日期:2015 卷标:19(10) 页码:1400-1410]
  
  2743-38-6 + 84057-95-4 = 84057-95-4
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Water; Ph 11,Rt
  标题:Preparation And Purification Of Ropivacaine,Bupivacaine,And Their Derivatives
  参考文献:China]
  
  1242146-52-6 = 84057-95-4
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; Rt; 10 H,Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 10 - 122.1 Reagents: Potassium Carbonate Solvents: Isopropanol,Water; 6 H,100 °C
  标题:Highly Enantioselective Catalytic Dynamic Resolution Of N-Boc-2-Lithiopiperidine: Synthesis Of (R)-(+)-N-Boc-Pipecolic Acid,(S)-(-)-Coniine,(S)-(+)-Pelletierine,(+)-β-Conhydrine,And (S)-(-)-Ropivacaine And Formal Synthesis Of (-)-Lasubine Ii And (+)-Cermizine C
  作者:Beng,Timothy K.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2010 卷标:132(35) 页码:12216-12217]
  
  2133-33-7 + 87-62-7 = 84057-95-4
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide Solvents: Toluene; < 10 Min,40 °C; 1.5 H,40 °C1.2 Solvents: Toluene; 2 H,40 °C2.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 1 H,40 °C
  标题:An Efficient And Practical Synthesis Of Ropivacaine Hydrochloride Under Ultrasound Irradiation
  作者:Li,Sai; Et Al
  参考文献:Latin American Journal Of Pharmacy 日期:2013 卷标:32(8) 页码:1258-1262]
  
  = 84057-95-4
  反应条件:1.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane; 4 H,Rt1.2 Reagents: Ammonium Chloride Solvents: Water; Rt2.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; Rt -> 80 °C; 5.5 H,80 °C; 80 °C -> Rt2.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Effect Of Partially Fluorinated N-Alkyl-Substituted Piperidine-2-Carboxamides On Pharmacologically Relevant Properties
  作者:Vorberg,Raffael; Et Al
  参考文献:Chemmedchem 日期:2016 卷标:11(19) 页码:2216-2239]
  
  27262-40-4 = 84057-95-4
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Isopropanol,Water; 6 H,100 °C
  标题:Highly Enantioselective Catalytic Dynamic Resolution Of N-Boc-2-Lithiopiperidine: Synthesis Of (R)-(+)-N-Boc-Pipecolic Acid,(S)-(-)-Coniine,(S)-(+)-Pelletierine,(+)-β-Conhydrine,And (S)-(-)-Ropivacaine And Formal Synthesis Of (-)-Lasubine Ii And (+)-Cermizine C
  作者:Beng,Timothy K.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2010 卷标:132(35) 页码:12216-12217]
  
  1242146-52-6 = 84057-95-4
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 15 Min,Rt; 8.5 H,Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 10 - 12,Rt2.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; Rt -> 80 °C; 5.5 H,80 °C; 80 °C -> Rt2.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Effect Of Partially Fluorinated N-Alkyl-Substituted Piperidine-2-Carboxamides On Pharmacologically Relevant Properties
  作者:Vorberg,Raffael; Et Al
  参考文献:Chemmedchem 日期:2016 卷标:11(19) 页码:2216-2239]
  
  15883-20-2 = 84057-95-4
  反应条件:1.1 Reagents: Sodium Hydroxide,(+)-Dibenzoyltartaric Acid Solvents: Methanol,Water2.1 Reagents: Potassium Carbonate
  标题:Process Improvement For The Separation Of Intermediates S-Type N-(2,6-Dimethylphenyl)-2-Piperidinecarboxamide In The Synthesis Of Ropivacaine
  作者:Yan,Bo; Et Al
  参考文献:Zhongguo Yaofang 日期:2015 卷标:26(16) 页码:2187-2189]
  
  98626-61-0 + 2743-38-6 = 84057-95-4
  反应条件:1.1 Solvents: 1-Butanol2.1 Reagents: Potassium Hydroxide Solvents: Water; Ph 11,Rt
  标题:Preparation And Purification Of Ropivacaine,Bupivacaine,And Their Derivatives
  参考文献:China]
  
  87-62-7 + 3105-95-1 = 84057-95-4
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Toluene; Rt1.2 Reagents: Thionyl Chloride Solvents: Toluene; 55 °C1.3 5 H,55 °C2.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 80 °C
  标题:A Convenient And Highly Enantioselective Synthesis Of (S)-2-Pipecolic Acid: An Efficient Access To Caine Anesthetics
  作者:Yang,Yuyan; Et Al
  参考文献:Synthetic Communications 日期:2021 卷标:51(20) 页码:3084-3089

海关参考信息

• 2902300000-甲苯
  2912110000-甲醛
  2912120000-乙醛
  2921211000-乙二胺
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