CAS: 951127-25-6; Tert-Butyl ((2R,3S)-2-(2,5-Difluorophenyl)-5-Oxotetrahydro-2H-Pyran-3-yl)Carbamate

• 英文名称Tert-Butyl ((2R,3S)-2-(2,5-Difluorophenyl)-5-Oxotetrahydro-2H-Pyran-3-yl)Carbamate
• 中文名称MK-3102 中间体1
• IUPAC名称tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2H-pyran-3-yl)carbamate
• 其它别名((2R,3S)-2-(2,5-二氟苯基)-5-氧代四氢-2H-吡喃-3-基)氨基甲酸叔丁酯; Tert-Butyl ((2R,3S)-2-(2,5-Difluorophenyl)-5-Oxotetrahydro-2H-Pyran-3-yl)Carbamate
• CAS编号951127-25-6
• MFCD编号:MFCD20926096
• 分子式:C16H19F2NO4
• 分子量:327.33
• 产品CID: 2003392
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: OTCULXVRRSCLLI-UONOGXRCSA-N
• InChI=1S/C16H19F2NO4/c1-16(2,3)23-15(21)19-13-7-10(20)8-22-14(13)11-6-9(17)4-5-12(11)18/h4-6,13-14H,7-8H2,1-3H3,(H,19,21)/t13-,14+/m0/s1…
• 计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数2.0

物理性质

• 沸点433.4°C at 760 mmHg
• 闪点215.9°C
• 密度1.25±0.1 g/cm3(预测)
• pKa:11.00±0.40(预测)
• PSA:64.63
• LogP:2.8886
• 外观形态白色至类白色固体
• 储存条件2-8°C
• 产品应用该化合物用于治疗2型糖尿病的有威力和选择性的低脂基聚丁酯4(DPP-4)抑制剂.

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H335
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

上下游产品

合成工艺路线路线简述

• 2169997-99-1 = 951127-25-6
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Ethyl Acetate,Water; Overnight,Rt
  标题:Preparation Of Chiral Intermediate Of Omarigliptin
  参考文献:China]
  
  1172623-99-2 = 951127-25-6
  反应条件:1.1 Reagents: Dess-Martin Periodinane Solvents: Dichloromethane; 0 °C; 4 H,0 °C -> Rt; Rt -> 0 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; 0 °C; 20 Min,0 °C
  标题:Hydrate Of Pyran Derivative Or Its Salt,And Preparing Method And Application Thereof
  参考文献:China]
  
  1172623-99-2 = 951127-25-6
  反应条件:1.1 Reagents: Dess-Martin Periodinane Solvents: Dichloromethane; 0 °C; 4 H,0 °C -> Rt; Rt -> 0 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; 0 °C; 20 Min,0 °C
  标题:Preparation Of Pyrroloimidazole Derivatives As Dipeptidyl Peptidase Iv (Dpp-Iv) Inhibitors
  参考文献:World Intellectual Property Organization]
  
  1172623-99-2 = 951127-25-6
  反应条件:1.1 Reagents: Dess-Martin Periodinane Solvents: Dichloromethane; 0 °C; 0 °C -> Rt; 4 H,Rt; Rt -> 0 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; 20 Min,0 °C
  标题:Preparation Of Imidazole Derivatives As Dipeptidyl Peptidase Iv Inhibitors
  参考文献:China]
  
  = 951127-25-6
  反应条件:1.1 Reagents: Zinc Chloride Solvents: Ethanol; 0 °C
  标题:Application Of Asymmetric Addition Reaction In Synthesis Of Omarigliptin Intermediate
  参考文献:China]
  
  951127-31-4 = 951127-25-6
  反应条件:1.1 Reagents: N-Methylmorpholine N-Oxide,Osmium Tetroxide1.2 Reagents: Sodium Periodate
  标题:Novel Tetrahydropyran Analogs As Dipeptidyl Peptidase Iv Inhibitors: Profile Of Clinical Candidate (2R,3S,5R)-2-(2,5-Difluorophenyl)-5-(4,6-Dihydropyrrolo[3,4-C]Pyrazol-5-(1H)-Yl)Tetrahydro-2H-Pyran-3-Amine (23)
  作者:Biftu,Tesfaye; Qian,Xiaoxia; Chen,Ping; Feng,Dennis; Scapin,Giovanna; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2013 卷标:23(19) 页码:5361-5366]
  
  951127-31-4 = 951127-25-6
  反应条件:1.1 Reagents: Sodium Periodate,Ruthenium Trichloride Solvents: Acetonitrile,Dichloromethane,Water; 3 H,25 °C
  标题:Preparation Of 2-Phenyl-Heterocyclyl-Tetrahydro-2H-Pyran-3-Amine Compounds For Use In The Treatment Of Diabetes And Its Associated Disorders
  参考文献:India]
  
  1172623-99-2 = 951127-25-6
  反应条件:1.1 Reagents: Dess-Martin Periodinane Solvents: Dichloromethane; 0 °C; 0 °C -> Rt; 4 H,Rt; Rt -> 0 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; 0 °C; 20 Min,0 °C
  标题:Preparation Of 2-Phenyl-3-Amino-4-Fluorotetrahydropyran Derivatives Useful As Dpp-Iv Inhibitors For The Treatment Of Metabolic Disease
  参考文献:China]
  
  1172623-99-2 = 951127-25-6
  反应条件:1.1 Reagents: Dess-Martin Periodinane Solvents: Dichloromethane; 0 °C; 4 H,0 °C -> Rt; Rt -> 0 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; 0 °C; 20 Min,0 °C
  标题:Amino Pyranoid Ring Derivative As Dpp-Iv Inhibitor And Its Preparation
  参考文献:World Intellectual Property Organization]
  
  1172623-99-2 = 951127-25-6
  反应条件:1.1 Reagents: Dess-Martin Periodinane Solvents: Dichloromethane; 0 °C; 4 H,Rt; Rt -> 0 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; 0 °C; 20 Min,0 °C
  标题:Amino Six-Membered Ring Derivatives And Application
  参考文献:China]
  
  1172623-99-2 = 951127-25-6
  反应条件:1.1 Reagents: Sodium Hypochlorite Solvents: Dichloromethane,Water; 3 H,Rt
  标题:Method For Preparing Key Intermediate Of Alogliptin Using 2,5-Difluorobenzaldehyde
  参考文献:China]
  
  1172623-99-2 = 951127-25-6
  反应条件:1.1 Reagents: Acetic Acid,Sodium Bromate Catalysts: Ruthenium Trichloride Solvents: Acetonitrile,Water; < 2 °C; 0 °C
  标题:Evolution Of A Manufacturing Route To Omarigliptin,A Long-Acting Dpp-4 Inhibitor For The Treatment Of Type 2 Diabetes
  作者:Chung,John Y. L.; Scott,Jeremy P.; Anderson,Camille; Bishop,Brian; Bremeyer,Nadine; Et Al
  参考文献:Organic Process Research & Development 日期:2015 卷标:19(11) 页码:1760-1768]
  
  = 951127-25-6
  反应条件:1.1 Reagents: Acetic Acid,Sodium Bromate Catalysts: Ruthenium Trichloride Solvents: Acetonitrile,Water; 0 °C; 0 °C1.2 Solvents: Water; 5 H,0 °C; Overnight,0 °C
  标题:Asymmetric Synthesis Of Highly Functionalized Tetrahydropyran Dpp-4 Inhibitor
  作者:Xu,Feng; Zacuto,Michael J.; Kohmura,Yoshinori; Rosen,Jon; Gibb,Andrew; Et Al
  参考文献:Organic Letters 日期:2014 卷标:16(20) 页码:5422-5425]
  
  24424-99-5 + 2162942-94-9 = 951127-25-6
  反应条件:1.1 Solvents: Dichloromethane; 0 °C; 0 °C -> Rt1.2 Reagents: Triphenylphosphine,Trichlorooxobis(Triphenylphosphine)Rhenium Solvents: Dichloromethane; Rt1.3 Reagents: Bismuth Trichloride,Bismuth Nitrate Solvents: Water; Rt
  标题:Application Of Enzyme Catalysis Technology In Synthesis Of Intermediate Of Omarigliptin
  参考文献:China

海关参考信息

• 2902600000-乙苯
  2905122000-异丙醇
  2905143000-叔丁醇
  2906210000-苄醇
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