CAS: 86123-95-7; (R)-2-((Tert-Butoxycarbonyl)Amino)-3-Methoxypropanoic Acid

• 英文名称(R)-2-((Tert-Butoxycarbonyl)Amino)-3-Methoxypropanoic Acid
• 中文名称(R)-2-叔丁氧羰基氨基-3-甲氧基丙酸
• IUPAC名称N-(tert-butoxycarbonyl)-O-methyl-D-serine
• 其它别名(R)-2-(叔丁氧基羰基氨基)-3-甲氧基丙酸; O-Methyl-N-(Phenylmethyl)-D-Serine Methyl Ester
• CAS编号86123-95-7
• MFCD编号:MFCD08063987
• EINECS号:638-792-0
• FDA UNII编号:SW2VTV4J73
• 分子式:C9H17NO5
• 分子量:219.24
• 产品CID: 1861830
• 产品分类有机原料→分子砌块→手性化合物→手性砌块

• 相似结构搜索
• InChIKey: RFGMSGRWQUMJIR-ZCFIWIBFSA-N
• InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-14-4)7(11)12/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1…
• 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数4.0

相似化合物

物理性质

• 沸点355.8°C at 760 mmHg
• 闪点169.0±26.5 °C
• 密度1.1±0.1 g/cm3
• pKa:3.52±0.10(预测)
• PSA:84.86
• LogP:0.6107
• 折射率1.461
• 蒸汽压0.0±1.7 mmHg at 25°C
• 外观形态白色至淡黄色固体
• 储存条件2-8°C

MSDS等安全信息

• GHS符号GHS07
• 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
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning
• 危险描述H302 |吞咽有害.
  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.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xi

欧盟法规

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合成工艺路线路线简述

• 6368-20-3 = 86123-95-7
  反应条件:1.1 Catalysts: Tetrabutylammonium Bromide Solvents: Toluene; 0 - 10 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 30 Min,0 - 10 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; 12 H,-5 - 5 °C1.4 Reagents: Citric Acid Solvents: Water; < Ph 3.5
  标题:Concise Synthesis Of Lacosamide With High Chiral Purity
  作者:Chen,Meng-Di; Et Al
  参考文献:Acs Omega 日期:2019 卷标:4(4) 页码:6546-6550]
  
  24424-99-5 + 1334286-16-6 = 86123-95-7
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Dihydroxide Solvents: Ethyl Acetate; 36 H,60 Psi,Rt2.1 Reagents: Sodium Hypochlorite,Sodium Chlorite Catalysts: Tempo Solvents: Acetonitrile,Water; 1 H,Ph 6.7,35 °C; 6 H,35 °C; 35 °C -> Rt2.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 8,Rt2.3 Reagents: Sodium Sulfite Solvents: Water; < 20 °C; 30 Min,Rt2.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 3 - 4,Rt
  标题:First Asymmetric Synthesis Of The Antiepileptic Drug Lacosamide (Vimpat) Based On A Hydrolytic Kinetic Resolution Strategy
  作者:Muthukrishnan,M.; Et Al
  参考文献:Tetrahedron: Asymmetry 日期:2011 卷标:22(12) 页码:1353-1357]
  
  6368-20-3 = 86123-95-7
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Tetrabutylammonium Bromide Solvents: Toluene,Water; 30 Min,0 - 10 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 20 H,-5 - 5 °C
  标题:Improved Synthesis And Impurity Identification Of (R)-Lacosamide
  作者:Yang,Anjiang; Et Al
  参考文献:Organic Process Research & Development 日期:2019 卷标:23(5) 页码:818-824]
  
  721927-59-9 = 86123-95-7
  反应条件:1.1 Reagents: Sodium Hypochlorite,Sodium Chlorite,Monopotassium Phosphate Catalysts: Tempo Solvents: Acetonitrile,Water; 3 H,Rt
  标题:Chiral Pool Approach For The Synthesis Of Functionalized Amino Acids: Synthesis Of Antiepileptic Drug (R)-Lacosamide
  作者:Aratikatla,Eswar K.; Et Al
  参考文献:Tetrahedron Letters 日期:2015 卷标:56(42) 页码:5802-5803]
  
  721927-59-9 = 86123-95-7
  反应条件:1.1 Reagents: Sodium Hypochlorite,Sodium Chlorite Catalysts: Tempo Solvents: Acetonitrile,Water; 1 H,Ph 6.7,35 °C; 6 H,35 °C; 35 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 8,Rt1.3 Reagents: Sodium Sulfite Solvents: Water; < 20 °C; 30 Min,Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 3 - 4,Rt
  标题:First Asymmetric Synthesis Of The Antiepileptic Drug Lacosamide (Vimpat) Based On A Hydrolytic Kinetic Resolution Strategy
  作者:Muthukrishnan,M.; Et Al
  参考文献:Tetrahedron: Asymmetry 日期:2011 卷标:22(12) 页码:1353-1357]
  
  24424-99-5 + 312-84-5 = 86123-95-7
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Tert-Butanol,Water; Rt1.2 Reagents: Tert-Butyllithium Solvents: Tetrahydrofuran; Rt
  标题:Preparation And Biological Evaluation Of Key Fragments And Open Analogs Of Scleritodermin A
  作者:Sellanes,Diver; Et Al
  参考文献:Tetrahedron 日期:2010 卷标:66(29) 页码:5384-5395]
  
  24424-99-5 + 312-84-5 = 86123-95-7
  反应条件:1.1 Reagents: 4-Methylmorpholine Solvents: 1,4-Dioxane,Water; 2 H,25 - 30 °C2.1 Reagents: Sodium Hydroxide Solvents: Toluene; 0 - 10 °C; 2 H,5 - 10 °C2.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3.5 - 4
  标题:Synthesis And Characterization Of Process Related Impurities Of An Anticonvulsant Drug-Lacosamide
  作者:Eadara,Kalyana Chakravarthi; Et Al
  参考文献:Pharma Chemica 日期:2016 卷标:8(16) 页码:98-104]
  
  721928-19-4 = 86123-95-7
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Monohydrate Solvents: Methanol; 5 H,Rt2.1 Reagents: Sodium Hypochlorite,Sodium Chlorite,Monopotassium Phosphate Catalysts: Tempo Solvents: Acetonitrile,Water; 3 H,Rt
  标题:Chiral Pool Approach For The Synthesis Of Functionalized Amino Acids: Synthesis Of Antiepileptic Drug (R)-Lacosamide
  作者:Aratikatla,Eswar K.; Et Al
  参考文献:Tetrahedron Letters 日期:2015 卷标:56(42) 页码:5802-5803]
  
  108149-63-9 = 86123-95-7
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran; Rt; 30 Min,Rt1.2 Reagents: Water; Rt2.1 Reagents: P-Toluenesulfonic Acid Monohydrate Solvents: Methanol; 5 H,Rt3.1 Reagents: Sodium Hypochlorite,Sodium Chlorite,Monopotassium Phosphate Catalysts: Tempo Solvents: Acetonitrile,Water; 3 H,Rt
  标题:Chiral Pool Approach For The Synthesis Of Functionalized Amino Acids: Synthesis Of Antiepileptic Drug (R)-Lacosamide
  作者:Aratikatla,Eswar K.; Et Al
  参考文献:Tetrahedron Letters 日期:2015 卷标:56(42) 页码:5802-5803]
  
  90904-30-6 = 86123-95-7
  反应条件:1.1 Reagents: Triphenylphosphine,Diisopropyl Azodicarboxylate Solvents: Toluene; 15 Min,0 °C1.2 Reagents: Diphenylphosphoryl Azide; 10 H,Rt2.1 Reagents: Hydrogen Catalysts: Palladium Dihydroxide Solvents: Ethyl Acetate; 36 H,60 Psi,Rt3.1 Reagents: Sodium Hypochlorite,Sodium Chlorite Catalysts: Tempo Solvents: Acetonitrile,Water; 1 H,Ph 6.7,35 °C; 6 H,35 °C; 35 °C -> Rt3.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 8,Rt3.3 Reagents: Sodium Sulfite Solvents: Water; < 20 °C; 30 Min,Rt3.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 3 - 4,Rt
  标题:First Asymmetric Synthesis Of The Antiepileptic Drug Lacosamide (Vimpat) Based On A Hydrolytic Kinetic Resolution Strategy
  作者:Muthukrishnan,M.; Et Al
  参考文献:Tetrahedron: Asymmetry 日期:2011 卷标:22(12) 页码:1353-1357

海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2905399001-1,3-丙二醇
  2912110000-甲醛
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