CAS: 915095-84-0; (S)-(5-Bromo-2-Chlorophenyl)(4-((Tetrahydrofuran-3-yl)Oxy)Phenyl)Methanone

• 英文名称(S)-(5-Bromo-2-Chlorophenyl)(4-((Tetrahydrofuran-3-yl)Oxy)Phenyl)Methanone
• 中文名称(5-溴-2-氯苯基)[4-[[(3S)-四氢-3-呋喃基]氧基]苯基]甲酮
• IUPAC名称(S)-(5-bromo-2-chlorophenyl)(4-((tetrahydrofuran-3-yl)oxy)phenyl)methanone
• 其它别名(S)-(5-Bromo-2-Chlorophenyl)(4-(Tetrahydrofuran-3-Yloxy)Phenyl)Methanone; (5-Bromo-2-Chlorophenyl)[4-[[(3S)-Tetrahydro-3-Furanyl]Oxy]Phenyl]Methanone; Empagliflozin Impurity 23/5-Bromo Keto Thf Impurity/(S)-(5-Bromo-2-Chlorophenyl)(4-((Tetrahydrofuran-3-yl)Oxy) Phenyl)Methanone; Empagliflozin Impurity 71; 5-Bromo Keto Thf Impurity; Empagliflozin-20; (5-Bromo-2-Chlorophenyl)-[4-[(3S)-Oxolan-3-Yl]Oxyphenyl]Methanone; Methanone, (5-Bromo-2-Chlorophenyl)[4-[[(3S)-Tetrahydro-3-Furanyl]Oxy]Phenyl]-
• CAS编号915095-84-0
• MFCD编号:MFCD27920792
• FDA UNII编号:U6VK5XR83J
• 分子式:C17H14BrClO3
• 分子量:381.65
• 产品CID: 1951756
• 产品分类医药中间体

• 相似结构搜索
• InChIKey: DGMVPGOZCCHBQI-AWEZNQCLSA-N
• InChI=1S/C17H14BrClO3/c18-12-3-6-16(19)15(9-12)17(20)11-1-4-13(5-2-11)22-14-7-8-21-10-14/h1-6,9,14H,7-8,10H2/t14-/m0/s1…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数4.0

物理性质

• 沸点505.1±50.0 °C(预测)
• 密度1.493±0.06 g/cm3(预测)
• PSA:35.53
• LogP:4.5012
• 外观形态固体
• 储存条件储存在 室温

MSDS等安全信息

• 警示词Warning
• 危险描述H315-H319-
• 防范说明P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-
• 危险品标志Xi

上下游产品

合成工艺路线路线简述

• 86087-23-2 + 915095-85-1 = 915095-84-0 + 106-39-8 + 456-22-4
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Tetrahydrofuran; 30 Min,< 10 °C; 30 Min,7 - 10 °C1.2 Solvents: Water
  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]
  
  86087-23-2 + 915095-85-1 = 915095-84-0
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Tetrahydrofuran; 90 Min,2 - 6 °C; 7 - 10 °C1.2 Reagents: Water
  标题:An Efficient Synthesis For Empagliflozin (An Inhibitor Of Sglt-2)
  作者:Jayachandra,Sureshbabu; Sethi,Madhuresh Kumar; Kaushik,Vipin Kumar; Ravi,Vijaya Krishna; Pothani,Jayaram; Et Al
  参考文献:World Journal Of Pharmacy And Pharmaceutical Sciences 日期:2018 卷标:7(12) 页码:537-545]
  
  86087-23-2 + 915095-85-1 = 915095-84-0
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Tetrahydrofuran,Water; Rt; 30 Min,7 - 10 °C1.2 Reagents: Water
  标题:A New Heterocyclic Compound: Crystal Structure And Anticancer Activity Against Human Lung Adenocarcinoma Cells
  作者:Shi,E. H.; Wang,L. R.; Zhao,S.; Shen,L.; Zhang,C. Y.; Et Al
  参考文献:Journal Of Structural Chemistry 日期:2020 卷标:61(7) 页码:1167-1174]
  
  86087-23-2 + 915095-85-1 = 915095-84-0
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Tetrahydrofuran; 0 °C; 2 H,0 °C
  标题:A Novel,Simple And Mild Route For Synthesis Of Dimer Impurities Of Gliflozins By Using Pd (Dba)2
  作者:Rane,Rajesh A.; Suryawanshi,Mugdha R.; Babhulkar,Gauri V.; Male,Rohit D.; Ketkale,Sneha B.; Et Al
  参考文献:European Journal Of Biomedical And Pharmaceutical Sciences 日期:2022 卷标:9(10) 页码:340-345

海关参考信息

• 2903919090-氯苯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-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

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• ➥ 象形图和危险代码
• ➥ 防范代码详解
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