CAS: 93796-20-4; Phenyl(2,4,6-Trihydroxy-3-(3-Methylbut-2-En-1-yl)Phenyl)Methanone

• 英文名称Phenyl(2,4,6-Trihydroxy-3-(3-Methylbut-2-En-1-yl)Phenyl)Methanone
• 中文名称3-异戊烯基-2,4,6-三羟基二苯甲酮
• IUPAC名称phenyl(2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl)methanone
• 其它别名3-Prenyl-2,4,6-Trihydroxybenzophenone; Phenyl[2,4,6-Trihydroxy-3-(3-Methyl-2-Buten-1-yl)Phenyl]Methanone; Phenyl(2,4,6-Trihydroxy-3-(3-Methylbut-2-En-1-yl)Phenyl)Methanone; 3-Prenyl-2,4,6-Trihydroxybenzoph; Methanone, Phenyl[2,4,6-Trihydroxy-3-(3-Methyl-2-Buten-1-yl)Phenyl]-
• CAS编号93796-20-4
• MFCD编号:MFCD25973123
• 分子式:C18H18O4分子量:298.34
• 产品CID: 1979442
• 产品分类天然产物 → 酚类

• 相似结构搜索
• InChIKey: WKFZVPVRFGJMEY-UHFFFAOYSA-N
• InChI=1S/C18H18O4/c1-11(2)8-9-13-14(19)10-15(20)16(18(13)22)17(21)12-6-4-3-5-7-12/h3-8,10,19-20,22H,9H2,1-2H3
• 计算化学: 氢键受体数4.0氢键供体数3.0可旋转键数4.0

物理性质

• 熔点102–103°C
• 沸点461.0±24.0 °C at 760 mmHg
• 闪点246.7±19.4 °C
• 密度1.3±0.1 g/cm3
• pKa:7.58±0.50(预测)
• PSA:77.76
• LogP:5.59
• 折射率1.631
• 蒸汽压0.0±1.2 mmHg at 25°C
• 外观形态黄色粉末
• 储存条件2-8°C

MSDS等安全信息

• 危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 安全声明H303+H313+H333

上下游产品

合成工艺路线路线简述

• 3555-86-0 + 870-63-3 = 93796-20-4
  反应条件:1.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene Solvents: Tetrahydrofuran; Rt; 24 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; 15 Min,Rt
  标题:Synthesis Of 3-Geranyl- And 3-Prenyl-2,4,6-Trihydroxybenzophenone
  作者:Mzozoyana,Vuyisa; Van Heerden,Fanie R.
  参考文献:Synthetic Communications 日期:2017 卷标:47(6) 页码:599-603]
  
  3555-86-0 + 870-63-3 = 93796-20-4
  反应条件:1.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene Solvents: Tetrahydrofuran; 24 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; 15 Min,Rt
  标题:Synthesis Of Fluorine-Containing Prenylated Benzophenones
  作者:Mzozoyana,Vuyisa; Van Heerden,Fanie R.
  参考文献:Synthetic Communications 日期:2020 卷标:50(14) 页码:2226-2235]
  
  3555-86-0 + 870-63-3 = 93796-20-4
  反应条件:1.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene Solvents: Tetrahydrofuran; 24 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:A New Synthetic Route For Natural Products With The Pyranobenzophenone Moiety: Clusiacitran A,Vismiaphenone B,Isovismiaphenone B,And Myrtiaphenone B
  作者:Lee,Yong Rok; Kim,Jung Hee; Yong,Chul Soon; Im,Jong Sub; Lyoo,Won Seok
  参考文献:Bulletin Of The Korean Chemical Society 日期:2008 卷标:29(2) 页码:515-518]
  
  3555-86-0 + 556-82-1 = 93796-20-4
  反应条件:1.1 Reagents: Alumina Solvents: Ethyl Acetate; 24 H,Reflux
  标题:Processes For The Preparation Of Ortho-Allylated Hydroxy Aryl Compounds
  参考文献:World Intellectual Property Organization]
  
  = 93796-20-4 [标题:Reaction Conditions
  标题:The Synthesis Of Some Novel Deoxyhumulone Analogs. Observations On The Air-Oxidation Of 2',4',6'-Trihydroxy-3'-Isopentyl-5'-(3-Methylbut-2-Enyl)Isovalerophenone And Its Corresponding Humulone Derivatives
  作者:Cann,Martin R.; Davis,Anne Marie; Shannon,Patrick V. R.
  参考文献:Journal Of The Chemical Society 日期:1984 卷标:(7) 页码:1413-21]
  
  14874-70-5 + 3555-86-0 + 950201-82-8 = 93796-20-4 + 70219-83-9
  反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Chloroform; 7 H,Rt
  标题:Sulfonium Salts As Prenyl,Geranyl,And Isolavandulyl Transfer Agents Towards Benzoylphloroglucinol Derivatives
  作者:Brajeul,Solenn; Delpech,Bernard; Marazano,Christian
  参考文献:Tetrahedron Letters 日期:2007 卷标:48(32) 页码:5597-5600

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902600000-乙苯
  2907221000-对苯二酚
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