CAS: 817204-32-3; (2R,3R,4R,5R)-5-(4-Benzamido-2-Oxopyrimidin-1(2H)-yl)-2-((Benzoyloxy)Methyl)-4-Fluoro-4-Methyltetrahydrofuran-3-Yl Benzoate

• 英文名称(2R,3R,4R,5R)-5-(4-Benzamido-2-Oxopyrimidin-1(2H)-yl)-2-((Benzoyloxy)Methyl)-4-Fluoro-4-Methyltetrahydrofuran-3-Yl Benzoate
• 中文名称PSI 6206中间体
• IUPAC名称(2R,3R,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate
• 其它别名(2R)-N-苯甲酰基-2-脱氧-2-氟-2-甲基胞苷-3,5-二苯甲酸酯; Bz-R 1656
• CAS编号817204-32-3
• MFCD编号:MFCD23106344
• EINECS号:807-677-9
• 分子式:C31H26FN3O7
• 分子量:571.55
• 产品CID: 1809990
• 产品分类有机原料→生命科学→核苷&核苷酸→其他保护性核苷

• 相似结构搜索
• InChIKey: MXEQSUUFNWPUJH-RDWHIKKYSA-N
• InChI=1/C31H26FN3O7/c1-31(32)25(42-28(38)22-15-9-4-10-16-22)23(19-40-27(37)21-13-7-3-8-14-21)41-29(31)35-18-17-24(34-30(35)39)33-26(36)20-11…
• 计算化学: 氢键受体数9.0氢键供体数1.0可旋转键数8.0

相似化合物

物理性质

• 熔点241°C
• 沸点241 °C (dichloromethane/hexane)
• 密度1.3±0.1 g/cm3
• pKa:8.51±0.20(预测)
• PSA:125.82
• LogP:4.2038
• 折射率1.628
• 外观形态白色至类白色固体
• 储存条件密封干燥,冷冻保存, 低于 -20°C
• 产品应用该化合物用作实验室研究和制药/化学制造过程中的有机合成中间体.

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
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 安全声明H303+H313+H333

欧盟法规

上下游产品

合成工艺路线路线简述

• 64339-87-3 + 1621160-31-3 = 817204-32-3 + 874638-94-5
  反应条件:1.1 Reagents: Tin Tetrachloride Catalysts: Tetrabutylammonium Iodide Solvents: Chlorobenzene; Rt; 16 H,80 °C
  标题:Stereoselective N-Glycosylation With N4-Acyl Cytosines And Efficient Synthesis Of Gemcitabine
  作者:Liu,Tongchao; Et Al
  参考文献:Tetrahedron 日期:2019 卷标:75(9) 页码:1203-1213]
  
  64339-87-3 + 914912-73-5 = 817204-32-3 + 874638-94-5
  反应条件:1.1 Reagents: Tin Tetrachloride Solvents: Acetonitrile; 4 H,50 - 55 °C1.2 Reagents: Sodium Bicarbonate Solvents: Ethyl Acetate,Water
  标题:Synthesis Of 2-Deoxy-2-Fluoro-2-C-Methyl-D-Ribofuranoses
  作者:Clark,Jeremy L.; Et Al
  参考文献:Journal Of Carbohydrate Chemistry 日期:2006 卷标:25(6) 页码:461-470]
  
  817204-34-5 = 817204-32-3 + 863329-64-0 + 863329-63-9
  反应条件:1.1 Reagents: Acetic Acid,Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 0.75 H,Rt2.1 Solvents: Pyridine; Rt -> 0 °C; 10 Min,0 °C; 1.5 H3.1 Reagents: (Diethylamino)Sulfur Trifluoride Solvents: Toluene; -20 °C; 1 H
  标题:Design,Synthesis,And Antiviral Activity Of 2'-Deoxy-2'-Fluoro-2'-C-Methyl-Cytidine,A Potent Inhibitor Of Hepatitis C Virus Replication
  作者:Clark,Jeremy L.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2005 卷标:48(17) 页码:5504-5508]
  
  119411-03-9 + 917-54-4 = 817204-32-3 + 863329-64-0 + 863329-63-9
  反应条件:1.1 Solvents: Diethyl Ether; Rt -> -78 °C; 1 H,-78 °C; 2 H,-78 °C1.2 Reagents: Ammonium Chloride Solvents: Water2.1 Reagents: Acetic Acid,Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 0.75 H,Rt3.1 Solvents: Pyridine; Rt -> 0 °C; 10 Min,0 °C; 1.5 H4.1 Reagents: (Diethylamino)Sulfur Trifluoride Solvents: Toluene; -20 °C; 1 H
  标题:Design,Synthesis,And Antiviral Activity Of 2'-Deoxy-2'-Fluoro-2'-C-Methyl-Cytidine,A Potent Inhibitor Of Hepatitis C Virus Replication
  作者:Clark,Jeremy L.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2005 卷标:48(17) 页码:5504-5508]
  
  874638-80-9 + 71-30-7 + 98-88-4 = 817204-32-3
  反应条件:1.1 Solvents: Pyridine; 0 °C; 1 H,0 °C; 7 H,0 °C1.2 Solvents: Methanol1.3 Reagents: Hexamethyldisilazane,Ammonium Sulfate; 1 H1.4 Reagents: Lithium Tri-Tert-Butoxyaluminum Hydride Solvents: Tetrahydrofuran; Rt -> -20 °C; -10 °C1.5 Reagents: Thionyl Chloride Solvents: Dichloromethane; 0 °C1.6 Reagents: Stannous Chloride Solvents: Chlorobenzene; 70 °C
  标题:Synthesis Of Intermediate Of Sofosbuvir
  作者:Wang,Zhi-Guo; Wang,Lei; Wang,Zhi-Gang
  参考文献:Huaxue Shiji 日期:2016 卷标:38(3) 页码:287-290]
  
  26661-13-2 + 874638-93-4 = 817204-32-3 + 874638-94-5
  反应条件:1.1 Reagents: N,O-Bis(Trimethylsilyl)Acetamide Solvents: Chlorobenzene; 2 H,Rt -> 80 °C; 80 °C -> Rt1.2 Reagents: Tin Tetrachloride Solvents: Chlorobenzene; Rt; 16 H,Rt -> 65 °C
  标题:Aspartic Acid Based Nucleoside Phosphoramidate Prodrugs As Potent Inhibitors Of Hepatitis C Virus Replication
  作者:Maiti,Munmun; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2015 卷标:13(18) 页码:5158-5174]
  
  863329-62-8 = 817204-32-3 + 863329-64-0 + 863329-63-9
  反应条件:1.1 Reagents: (Diethylamino)Sulfur Trifluoride Solvents: Toluene; -20 °C; 1 H
  标题:Design,Synthesis,And Antiviral Activity Of 2'-Deoxy-2'-Fluoro-2'-C-Methyl-Cytidine,A Potent Inhibitor Of Hepatitis C Virus Replication
  作者:Clark,Jeremy L.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2005 卷标:48(17) 页码:5504-5508]
  
  98-88-4 + 817204-35-6 = 817204-32-3 + 863329-64-0 + 863329-63-9
  反应条件:1.1 Solvents: Pyridine; Rt -> 0 °C; 10 Min,0 °C; 1.5 H2.1 Reagents: (Diethylamino)Sulfur Trifluoride Solvents: Toluene; -20 °C; 1 H
  标题:Design,Synthesis,And Antiviral Activity Of 2'-Deoxy-2'-Fluoro-2'-C-Methyl-Cytidine,A Potent Inhibitor Of Hepatitis C Virus Replication
  作者:Clark,Jeremy L.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2005 卷标:48(17) 页码:5504-5508]
  
  13154-24-0 + 93-97-0 + 65-46-3 = 817204-32-3 + 863329-64-0 + 863329-63-9
  反应条件:1.1 Solvents: Dimethylformamide; Rt1.2 Solvents: Dimethylformamide; Rt1.3 Reagents: Dimethyl Sulfoxide,Triethylamine,Trifluoroacetic Anhydride Solvents: Dimethyl Sulfoxide; Rt -> -15 °C2.1 Solvents: Diethyl Ether; Rt -> -78 °C; 1 H,-78 °C; 2 H,-78 °C2.2 Reagents: Ammonium Chloride Solvents: Water3.1 Reagents: Acetic Acid,Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 0.75 H,Rt4.1 Solvents: Pyridine; Rt -> 0 °C; 10 Min,0 °C; 1.5 H5.1 Reagents: (Diethylamino)Sulfur Trifluoride Solvents: Toluene; -20 °C; 1 H
  标题:Design,Synthesis,And Antiviral Activity Of 2'-Deoxy-2'-Fluoro-2'-C-Methyl-Cytidine,A Potent Inhibitor Of Hepatitis C Virus Replication
  作者:Clark,Jeremy L.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2005 卷标:48(17) 页码:5504-5508

海关参考信息

• 2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2905399001-1,3-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

专利信息

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