CAS: 915095-89-5; (S)-3-(4-(5-Bromo-2-Chlorobenzyl)Phenoxy)Tetrahydrofuran

• 英文名称(S)-3-(4-(5-Bromo-2-Chlorobenzyl)Phenoxy)Tetrahydrofuran
• 中文名称(3S)-3-[4-[(5-溴-2-氯苯基)甲基]苯氧基]四氢呋喃
• IUPAC名称(S)-3-(4-(5-bromo-2-chlorobenzyl)phenoxy)tetrahydrofuran
• 其它别名(3S)-3-[4-[(5-Bromo-2-Chlorophenyl)Methyl]Phenoxy]Tetrahydro-Furan ; (3S)-3-[4-[(5-Bromo-2-Chlorophenyl)Methyl]Phenoxy]Oxolane ; 4Wr8P4Hz8G
• CAS编号915095-89-5
• MFCD编号:MFCD27920793
• EINECS号:869-252-4
• FDA UNII编号:4WR8P4HZ8G
• 分子式:C17H16BrClO2
• 分子量:367.66
• 产品CID: 1951764
• 产品分类医药中间体 → 原料药中间体

• 相似结构搜索
• InChIKey: HUNLNKBDQXGMAP-INIZCTEOSA-N
• InChI=1S/C17H16BrClO2/c18-14-3-6-17(19)13(10-14)9-12-1-4-15(5-2-12)21-16-7-8-20-11-16/h1-6,10,16H,7-9,11H2/t16-/m0/s1…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数4.0

物理性质

• 熔点49-51°C
• 沸点459.1±45.0 °C at 760 mmHg
• 闪点231.4±28.7 °C
• 密度1.4±0.1 g/cm3
• PSA:18.46
• LogP:4.92
• 折射率1.603
• 蒸汽压0.0±1.1 mmHg at 25°C
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 外观形态白色至类白色固体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于利用 ALCL3 推动的Β-甘糖糖代谢还原减少硅酸盐,有效合成SGLT-2的喷气胶抑制剂.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS07;
  注释: Health hazard & Exclamation mark
• 危险类别水生慢性毒性 类别4
  致癌性 类别2
  急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H413 |可能对水生生物造成长期有害影响.
  H351 |怀疑致癌.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P264-P270-P301+P312-P330-P501

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 (3S)-3-[4-[(5-Bromo-2-Chlorophenyl)Methyl]Phenoxy]Tetrahydrofuran 主要起始原料 5-Bromo-2-Chlorobenzoic Acid
• 2761280-42-4 = 915095-89-5
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane,Toluene; 24 H,110 °C
  标题:Enantioselective Hydrogenation Toward Chiral 3-Aryloxy Tetrahydrofurans Enabled By Spiro Ir-Pnn Catalysts Containing An Unusual 5-Substituted Chiral Oxazoline Unit
  作者:Gu,Xue-Song; Xiong,Ying; Yang,Fan; Yu,Na; Yan,Pu-Cha; Et Al
  参考文献:Acs Catalysis 日期:2022 卷标:12(4) 页码:2206-2211]
  
  915095-84-0 = 915095-89-5
  反应条件:1.1 Reagents: Boron Trifluoride Etherate,Triethylsilane Solvents: Acetonitrile,Dichloromethane; Rt; Rt -> 0 °C; 0 °C; 0 °C -> Rt; 18 H,Rt
  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]
  
  915095-84-0 = 915095-89-5
  反应条件:1.1 Reagents: Hexamethyldisiloxane,Aluminum Chloride Solvents: Toluene; 1 H,< 20 °C; 1.5 H,20 - 23 °C; 23 °C -> 0 °C1.2 Solvents: Water; 15 Min,0 - 5 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; 16 - 24 H,Basified,Rt
  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]
  
  915095-84-0 = 915095-89-5
  反应条件:1.1 Reagents: 1,1,3,3-Tetramethyldisiloxane,Aluminum Chloride Solvents: Toluene; < 20 °C; 1.5 H,20 - 23 °C
  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]
  
  864070-18-8 + 86087-24-3 = 915095-89-5
  反应条件:1.1 Reagents: Triphenylphosphine,Diisopropyl Azodicarboxylate Solvents: Dichloromethane; 0 °C; 30 Min,0 °C1.2 20 H,Rt
  标题:Discovery Of A Potent,Selective Renal Sodium-Dependent Glucose Cotransporter 2 (Sglt2) Inhibitor (Hsk0935) For The Treatment Of Type 2 Diabetes
  作者:Li,Yao; Shi,Zongjun; Chen,Lei; Zheng,Suxin; Li,Sheng; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2017 卷标:60(10) 页码:4173-4184

海关参考信息

• 2902300000-甲苯
  2903919090-氯苯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
• 💡 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

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• ➥ 防范代码详解
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