CAS: 915095-87-3; (S)-(2-Chloro-5-Iodophenyl)(4-((Tetrahydrofuran-3-yl)Oxy)Phenyl)Methanone

• 英文名称(S)-(2-Chloro-5-Iodophenyl)(4-((Tetrahydrofuran-3-yl)Oxy)Phenyl)Methanone
• 中文名称依帕列净中间体
• IUPAC名称(S)-(2-chloro-5-iodophenyl)(4-((tetrahydrofuran-3-yl)oxy)phenyl)methanone
• 其它别名Methanone,(2-Chloro-5-Iodophenyl)[4-[[(3S)-Tetrahydro-3-Furanyl]Oxy]Phenyl]-; Methanone, (2-Chloro-5-Iodophenyl)[4-[[(3S)-Tetrahydro-3-Furanyl]Oxy]Phenyl]-; H38Q3Ve2C8; (2-Chloro-5-Iodophenyl)(4-((3S)-Tetrahyd
• CAS编号915095-87-3
• MFCD编号:MFCD22665921
• EINECS号:619-598-5
• FDA UNII编号:H38Q3VE2C8
• 分子式:C17H14ClIO3
• 分子量:428.65
• 产品CID: 1951762
• 产品分类医药中间体 → 原料药中间体

• 相似结构搜索
• InChIKey: WBBJCIOCSVFCNI-AWEZNQCLSA-N
• InChI=1/C17H14ClIO3/c18-16-6-3-12(19)9-15(16)17(20)11-1-4-13(5-2-11)22-14-7-8-21-10-14/h1-6,9,14H,7-8,10H2/t14-/s2…
• 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

• 熔点109-113°C
• 沸点525.9±50.0 °C (760 mmHg)
• 闪点272 °C
• 密度1.639±0.06 g/cm3 (20 °C, 760 mmHg)
• PSA:35.53
• LogP:4.3433
• 溶解性Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
• 外观形态类白色至浅米色固体
• 储存条件在惰性气体(氮气或氩气)下 2–8 °C

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P261-P305+P351+P338
• 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

• 合成目标产物 (2-Chloro-5-Iodophenyl)[4-[[(3S)-Tetrahydro-3-Furanyl]Oxy]Phenyl]Methanone 主要起始原料 (2-Chloro-5-Iodophenyl)(4-Fluorophenyl)Methanone And (S)-(+)-3-Hydroxytetrahydrofuran
• 86087-23-2 + 915095-86-2 = 915095-87-3
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Tetrahydrofuran; < 10 °C; 30 Min,7 - 10 °C1.2 Reagents: Water
  标题:Crystal Structure And Anti-Cancer Activity Of (S)-3-[4-(2-Chloro-5-Iodobenzyl)Phenoxy]Tetrahydrofuran
  作者:Zhang,Peng; Li,Zhi; Liu,Jiangtao; Jin,Ruyi; Zhao,Xiaomei; Et Al
  参考文献:Latin American Journal Of Pharmacy 日期:2020 卷标:39(8) 页码:1618-1623]
  
  86087-23-2 + 915095-86-2 = 915095-87-3 + 456-22-4 + 637-87-6
  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]
  
  19094-56-5 + 918439-75-5 = 915095-87-3
  反应条件:1.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; 4 H,Rt1.2 Reagents: Aluminum Chloride Solvents: Dichloromethane; < 0 °C; 3 H,10 - 20 °C
  标题:Design,Synthesis And Anticancer Activities Of Halogenated Phenstatin Analogs As Microtubule Destabilizing Agent
  作者:Hu,Shengquan; Sun,Wuji; Wang,Yeming; Yan,Hong
  参考文献:Medicinal Chemistry Research 日期:2019 卷标:28(4) 页码:465-472

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

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
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• ➥ REACH监管