CAS: 915095-99-7; (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-Chloro-3-(4-(((S)-Tetrahydrofuran-3-yl)Oxy)Benzyl)Phenyl)Tetrahydro-2H-Pyran-3,4,5-Triyl Triacetate

• 英文名称(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-Chloro-3-(4-(((S)-Tetrahydrofuran-3-yl)Oxy)Benzyl)Phenyl)Tetrahydro-2H-Pyran-3,4,5-Triyl Triacetate
• 中文名称乙酰恩格列净
• IUPAC名称(2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
• 其它别名(1S)-2,3,4,6-Tetra-O-Acetyl-1,5-Anhydro-1-(4-Chloro-3-{4-[(3S)-Tetrahydro-3-Furanyloxy]Benzyl}Phenyl)-D-Glucitol; Empagliflozin Impurity 25; (1S)-1,5-Anhydro-2,3,4,6-Tetra-O-Acteyl-1-C-[4-Chloro-3-[[4-[[(3S)-Tetrahydrofu-Ran-3-Yl]Oxy]Phenyl] Methyl]Phenyl]-D-Glucitol; Acetoxy Empagliflozin; (1S)-1,5-Anhydro-1-C-[4-Chloro-3-[[4-[[(3S)-Tetrahydro-3-Furanyl]Oxy]Phenyl]Methyl]Phenyl]-D-Glucitol Tetraacetate; Empagliflozin Impurity 13/peracetyl Empagliflozin/(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-Chloro-3-(4-(((S)- Tetrahydrofuran-3-yl)Oxy)Benzyl)Phenyl)Tetrahydro-2H-Pyran- 3,4,5-Triyl Triacetate; [(2R,3R,4R,5S,6S)-3,4,5-Triacetyloxy-6-[4-Chloro-3-[[4-[(3S)-Oxolan-3-Yl]Oxyphenyl]Methyl]Phenyl]Oxan-2-Yl]Methyl Acetate; Peracetyl Empagliflozin
• CAS编号915095-99-7
• MFCD编号:MFCD28978546
• EINECS号:192-394-7
• FDA UNII编号:D5AR7LVU55
• 分子式:C31H35ClO11
• 分子量:619.06
• 产品CID: 1951774
• 产品分类Chemistry → Heterocyclic Building Blocks → Aliphatic Heterocycles

• 相似结构搜索
• InChIKey: IVTYEGRDCQLUJE-KTUPMIEBSA-N
• IVTYEGRDCQLUJE-LCLDIHCGNA-N…
• 计算化学: 氢键受体数11.0氢键供体数0.0可旋转键数14.0

物理性质

• 沸点673.8±55.0 °C at 760 mmHg
• 闪点192.1±30.5 °C
• 密度1.3±0.1 g/cm3
• PSA:132.89
• LogP:5.06
• 折射率1.572
• 蒸汽压0.0±2.1 mmHg at 25°C
• 外观形态白色至类白色固体
• 储存条件存储温度 2-8°C
• 产品应用该化合物用于治疗代谢紊乱的治疗剂的含氯丙诺氨基替代苯硝酸酯的过程开始.

MSDS等安全信息

• GHS符号GHS07
• 危险类别水生慢性毒性 类别4
• 警示词Warning
• 危险描述H413 |可能对水生生物造成长期有害影响.
• 防范说明P264-P270-P301+P312-P330
• 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

• 864070-44-0 = 915095-99-7
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: 1,4-Dioxane; 24 H,60 °C
  标题:A Metal-Free Direct Arene C-H Amination
  作者:Wang,Tao; Hoffmann,Marvin; Dreuw,Andreas; Hasagic,Edina; Hu,Chao; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2021 卷标:363(11) 页码:2783-2795]
  
  1620758-21-5 = 915095-99-7 + 1620758-27-1
  反应条件:1.1 Catalysts: Aluminum Chloride Solvents: Acetonitrile,Dichloromethane; 30 Min,0 - 5 °C; < 20 °C1.2 Reagents: Triethylsilane; 15 Min,< 20 °C; 0.5 H,20 - 25 °C; 25 °C -> 0 °C1.3 Solvents: Water; 0 - 5 °C
  标题:Efficient Synthesis Of Empagliflozin,An Inhibitor Of Sglt-2,Utilizing An Alcl3-Promoted Silane Reduction Of A β-Glycopyranoside
  作者:Wang,Xiao-Jun; Zhang,Li; Byrne,Denis; Nummy,Larry; Weber,Dirk; Et Al
  参考文献:Organic Letters 日期:2014 卷标:16(16) 页码:4090-4093

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