CAS: 910129-15-6; 2-Methylbutyl (1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-Methyltetrahydrofuran-2-yl)-5-Fluoro-2-Oxo-1,2-Dihydropyrimidin-4-yl)Carbamate

• 英文名称2-Methylbutyl (1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-Methyltetrahydrofuran-2-yl)-5-Fluoro-2-Oxo-1,2-Dihydropyrimidin-4-yl)Carbamate
• 中文名称5'-脱氧-5-氟-N-[(2-甲基丁氧基)羰基]胞苷
• IUPAC名称2-methylbutyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate
• 其它别名5'-Deoxy-5-Fluoro-N-[(2-Methylbutoxy)Carbonyl]Cytidine; Capecitabine Impurity E; Capecitabine 2-Methylbutyloxy Impurity; 5'-Deoxy-5-Fluoro-N4-[(2-Methylbutoxy)Carbonyl]-Cytidine; 2-Methylbutyl (1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-Methyltetrahydrofuran-2-Yl)-5-Fluoro-2-Oxo-1,2-Dihydropyrimidin-4-Yl)Carbamate; Capecitabine Ep Impurity D; Capecitabine Impurity 2(Capecitabine Ep Impurity D); Cytidine, 5'-Deoxy-5-Fluoro-N-[(2-Methylbutoxy)Carbonyl]-
• CAS编号910129-15-6
• MFCD编号:MFCD23135645
• EINECS号:813-823-2
• FDA UNII编号:0JD5QG20W5
• 分子式:C15H22FN3O6
• 分子量:359.35
• 产品CID: 1944586
• 产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

• 相似结构搜索
• InChIKey: WBAXSXXYPPILCT-DGHYOTGBSA-N
• InChI=1S/C15H22FN3O6/c1-4-7(2)6-24-15(23)18-12-9(16)5-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h5,7-8,10-11,13,20-21H,4,6H2,1-3H3,(H,17,18,22…
• 计算化学: 氢键受体数7.0氢键供体数3.0可旋转键数6.0

物理性质

• 熔点62-64 °C
• 沸点62-64 °C
• 密度1.5±0.1 g/cm3
• PSA:126.4
• LogP:0.97
• 折射率1.600
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 外观形态白色至类白色固体
• 储存条件密封干燥,2-8°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS07 & GHS09;
  注释: Health hazard & Exclamation mark & Environment
• 危险类别致癌性 类别1A
  生殖毒性 类别1A
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  水生急性毒性 类别1
  水生慢性毒性 类别1
• 警示词Danger(危险)
• 危险描述H350 |可能致癌.
  H360 |可能损害生育能力或胎儿.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H400 |对水生生物毒性极大.
  H410 |对水生生物毒性极大并具有长期持续影响.
• 防范说明P261-P305+P351+P338
• 危险品标志Xn

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 5'-Deoxy-5-Fluoro-N-[(2-Methylbutoxy)Carbonyl]Cytidine 主要起始原料 2',3'-Di-O-Acetyl-5'-Deoxy-5-Fuluro-D-Cytidine
• 161599-46-8 = 910129-15-6
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; 15 Min,0 °C; 6 H,Rt1.2 Reagents: Potassium Carbonate Solvents: Acetone; 10 - 15 Min,Rt; 15 - 20 Min,Rt; 3 H,Rt; 25 - 30 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; 2 H,-15 - -10 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 6.0
  标题:Synthesis And Biological Activity Evaluation Of Cytidine-5'-Deoxy-5-Fluoro-N-[(Alkoxy/aryloxy)] Carbonyl-Cyclic 2',3'-Carbonates
  作者:Jhansi Rani,V.; Raghavendra,A.; Kishore,P.; Nanda Kumar,Y.; Hema Kumar,K.; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2012 卷标:54 页码:690-696]
  
  124012-83-5 = 910129-15-6
  反应条件:1.1 Solvents: Toluene; 1 H,Reflux1.2 1 H1.3 Reagents: Sodium Methoxide Solvents: Methanol; Cooled; 1 H,Cooled1.4 Reagents: Acetic Acid; Ph 7
  标题:Synthesis And In Vivo Antitumor Activities Of Capecitabine Analogues
  作者:Chen,Yuelei; Cen,Junda
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2004 卷标:14(5) 页码:277-279

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

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