CAS: 83-12-5; 2-Phenyl-1H-Indene-1,3(2H)-Dione

• ⚠️《化妆品禁用原料目录》
• 英文名称2-Phenyl-1H-Indene-1,3(2H)-Dione
• 中文名称2-苯基-1H-茚-1,3(2H)-二酮
• IUPAC名称2-phenyl-1H-indene-1,3(2H)-dione
• 其它别名苯茚二酮; Rectadione
• CAS编号83-12-5
• MFCD编号:MFCD00003782
• EINECS号:201-454-4
• FDA UNII编号:5M7Y6274ZE
• 分子式:C15H10O2
• 分子量:222.24
• 产品CID: 2367380
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• 产品信息参考
• InChIKey: NFBAXHOPROOJAW-UHFFFAOYSA-N
• InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数1.0

物理性质

• 熔点144-148°C
• 沸点243.3 °C (0.3 mmHg)
• 闪点208 °C
• 密度1.343g/cm3
• pKa:pKa 4.09(H2O,t =25,I=0.1) (Uncertain)
• PSA:34.14
• LogP:2.8494
• 折射率1.703
• 蒸汽压1.43E-07 mmHg at 25 °C
• 溶解性Very Slightly Soluble In Water; Slightly Soluble In Ethanol (96%) And In Ether. Solutions Are Yellow To Red.
• 外观形态白色至淡黄色粉末至晶体
• 储存条件惰性气氛,室温
• 产品应用该化合物用于实用医学.

MSDS等安全信息

• GHS象形图
• GHS符号GHS06;
  注释: Skull and crossbones
• 危险类别急性毒性 类别3(经口)
  皮肤致敏 类别1
• 警示词Danger(危险)
• 危险描述H301 |吞咽会中毒.
  H317 |可能引起皮肤过敏反应.
• 防范说明P264-P270-P330-P405-P501
• 危险等级6.1
• UN编号2811.0
• 危险品标志T
• 包装等级Ⅲ
• 安全声明36/37/39-45
• 危险类别码25-43
• WGK Germany3.0

欧盟法规

上下游产品

合成工艺路线路线简述

• 87-41-2 + 100-52-7 = 83-12-5
  反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol,Ethyl Acetate; Rt; 3 H,Reflux; Reflux -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1.0
  标题:Rapid Access To Substituted Indenones Through Grignard Reaction And Its Application In The Synthesis Of Fluorenones Using Ring Closing Metathesis
  作者:Parui,Nabin; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2023 卷标:26(7)]
  
  1807-49-4 = 83-12-5
  反应条件:1.1 Reagents: Benzene Catalysts: Dirhodium Tetraacetate Solvents: Benzene
  标题:Synthesis Of 3-(4-Cyclopentene-1,3-Dione-2-Ylidene)-6-(Diphenylmethylene)Cyclohexadienes As Novel P-Quinodimethanes Stabilized By Antiaromaticity Of Cyclopentadienone
  作者:Toda,Mitsuo; Et Al
  参考文献:Chemistry Letters 日期:1987 卷标:(7) 页码:1263-6]
  
  19096-28-7 = 83-12-5
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol; 5 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 6 H,Rt
  标题:Expedient Assembly Of Densely Functionalized Indanones Via Nickel-Catalyzed Alkene Hydroacylation With Methyl Esters
  作者:Zeng,Min; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2023 卷标:10(12) 页码:3067-3073]
  
  606-23-5 = 83-12-5
  反应条件:1.1 Solvents: Methanol,Acetonitrile; 0 °C -> Rt; 24 H,Rt1.2 Reagents: Hydrogen Peroxide,Tetrafluoroboric Acid Solvents: Water; 12 H,Rt1.3 Reagents: Sodium Bicarbonate,Sodium Pyrosulfite Solvents: Water; Rt
  标题:Ring Contraction Of Tropylium Ions Into Benzenoid Derivatives
  作者:Lyons,Demelza J. M.; Et Al
  参考文献:Organic Letters 日期:2022 卷标:24(13) 页码:2520-2525]
  
  = 83-12-5
  反应条件:1.1 Catalysts: Triethylamine Solvents: Acetic Anhydride
  标题:Synthesis Of Phenindione
  作者:Ri,Sung Yong; Et Al
  参考文献:Choson Minjujuui Inmin Konghwaguk Kwahagwon Tongbo 日期:2000 卷标:(6) 页码:30-32]
  
  = 83-12-5
  反应条件:1.1 Solvents: Acetic Anhydride1.2 Reagents: Triethylamine1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:Thermal Cyclization Of 3-Azido-2-Phenylindan-1-One To 5H-Indeno[1,2-B]Indol-10-One [1]
  作者:Stadlbauer,Wolfgang; Et Al
  参考文献:Journal Of Heterocyclic Chemistry 日期:2002 卷标:39(1) 页码:131-135]
  
  94744-39-5 = 83-12-5
  反应条件:1.1 Reagents: Cesium Carbonate Solvents: 1,4-Dioxane,Water; 4 H,80 °C; Cooled1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 4,Cooled
  标题:Palladium(Ii)-Catalyzed Synthesis Of Functionalized Indenones Via Oxidation And Cyclization Of 2-(2-Arylethynylphenyl)Acetonitriles
  作者:Chen,Xuxing; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2013 卷标:11(16) 页码:2582-2585]
  
  151-88-2 = 83-12-5
  反应条件:1.1 Catalysts: Triethylamine Solvents: Benzene
  标题:Synthesis And Properties Of Esters Of 3-Hydroxy-2-Phenylinden-1-One,2-(Hydroxymethyl)-2-Phenyl-1,3-Indandione And Carboxylic And Carbonic Acids
  作者:Marshalkin,V. N.; Et Al
  参考文献:Zhurnal Organicheskoi Khimii 日期:1985 卷标:21(2) 页码:376-83]
  
  1801-20-3 = 83-12-5
  反应条件:1.1 Catalysts: Acetylacetone
  标题:Reactions Of 2-Halo-2-(Substituted-Phenyl)-1,3-Indandiones With Anions Of C-Acids
  作者:Hrnciar,P.; Et Al
  参考文献:Chemicke Zvesti 日期:1981 卷标:35(1) 页码:113-18]
  
  = 83-12-5
  反应条件:1.1 Reagents: Water Solvents: Water
  标题:Reaction Of Cyclopropenones With Imines
  作者:Eicher,Theophil; Et Al
  参考文献:Justus Liebigs Annalen Der Chemie 日期:1978 卷标:(8) 页码:1203-21]
  
  1807-49-4 = 83-12-5 [标题:Reaction Conditions
  标题:Chemistry Of 6-Substituted-5-Acenaphthyldiazomethanes And 7-Substituted-6-Perinaphthyldiazomethanes. Ii. Rhodium Ion-Catalyzed Decomposition Of Diazo Compounds. Iii. Chemistry Of 1-Diazoacenaphthene Derivatives
  作者:Shankar,B. K. Ravi
  参考文献:1981]
  
  1807-49-4 = 83-12-5
  反应条件:1.1 Catalysts: Dirhodium Tetraacetate
  标题:Rhodium(Ii) Acetate-Catalyzed Reactions Of 2-Diazo-1,3-Indandione And 2-Diazo-1-Indanone With Various Substrates
  作者:Rosenfeld,M. J.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(12) 页码:2699-705]
  
  4767-56-0 = 83-12-5 [标题:Reaction Conditions
  标题:Possible Changes Of 2-Phenyl-1,3-Indandione
  作者:Klosa,Josef
  参考文献:Archiv Der Pharmazie Und Berichte Der Deutschen Pharmazeutischen Gesellschaft 日期:1954 卷标:287 页码:323-6]
  
  17763-67-6 + 606-23-5 = 83-12-5
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: Palladium,Bis(Acetonitrile)Dichloro-,Bis(1,1-Dimethylethyl)[2′,4′,6′-Tris(1-Methylethyl)[1,1′-Biphenyl]-2-Yl]Phosphin... Solvents: 1,4-Dioxane; 12 H,110 °C
  标题:Palladium-Catalyzed Direct α-Arylation Of Indane-1,3-Dione To 2-Substituted Indene-1,3-Diones
  作者:Tamizharasan,Natarajan; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(17) 页码:12318-12325]
  
  87-41-2 + 100-52-7 = 83-12-5
  反应条件:1.1 Reagents: Sodium Methoxide Solvents: Ethyl Acetate; Cooled; Cooled; 5 H,80 °C
  标题:Reinvestigation Of Atipamezole Synthesis And Preparation Of New Analogs
  作者:Karrabi,Behzad; Et Al
  参考文献:Organic Preparations And Procedures International 日期:2019 卷标:51(4) 页码:403-408]
  
  87-41-2 + 100-52-7 = 83-12-5
  反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol,Ethyl Propionate; 2 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Facile Access To Amino Acid Substituted Indenoisoquinolines Through Carbonylative Cycloamination With [fe(Co)5]
  作者:Slatkovska,Beata; Et Al
  参考文献:Chemistryselect 日期:2017 卷标:2(13) 页码:3948-3951]
  
  591-50-4 + 606-23-5 = 83-12-5
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: Palladium,Bis(Acetonitrile)Dichloro-,Bis(1,1-Dimethylethyl)[2′,4′,6′-Tris(1-Methylethyl)[1,1′-Biphenyl]-2-Yl]Phosphin... Solvents: 1,4-Dioxane; 12 H,110 °C
  标题:Palladium-Catalyzed Direct α-Arylation Of Indane-1,3-Dione To 2-Substituted Indene-1,3-Diones
  作者:Tamizharasan,Natarajan; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(17) 页码:12318-12325]
  
  58624-21-8 = 83-12-5
  反应条件:1.1 Reagents: Hydrochloric Acid,Water Solvents: Water
  标题:Bis(Ethylene)Ketals Of 2-Aryl-1,3-Indandiones And Some Of Their Properties
  作者:Tsetlin,Ya. S.; Et Al
  参考文献:Izvestiya Sibirskogo Otdeleniya Akademii Nauk Sssr 日期:1975 卷标:(5) 页码:136-9]
  
  36081-66-0 + 7188-38-7 = 83-12-5
  反应条件:1.1 Reagents: Lithium Tert-Butoxide Solvents: 1,4-Dioxane; 0.5 H,60 °C1.2 Catalysts: Dichlorobis(Triphenylphosphine)Palladium; 2 H,120 °C1.3 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran,Water; 2 H,Rt
  标题:Palladium-Catalyzed Chemoselective Synthesis Of Indane-1,3-Dione Derivatives Via Tert-Butyl Isocyanide Insertion
  作者:Duan,Huaqing; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2015 卷标:13(24) 页码:6782-6788]
  
  102-04-5 + 131-11-3 = 83-12-5
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Toluene; 16 H,Reflux
  标题:Third-Generation Light-Driven Symmetric Molecular Motors
  作者:Kistemaker,Jos C. M.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2017 卷标:139(28) 页码:9650-9661]
  
  108223-40-1 = 83-12-5
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid
  标题:α,β-Unsaturated Sulfur Compounds. Xx. [2 + 3]-Cycloaddition Of 3-Amino-2-Aryl-1-Indenethiones To Nitrilium Betaines And Azidobenzene
  作者:Korchevin,N. A.; Et Al
  参考文献:Zhurnal Organicheskoi Khimii 日期:1986 卷标:22(6) 页码:1276-82]
  
  = 83-12-5
  反应条件:1.1 Reagents: Hydrochloric Acid Catalysts: Acetic Acid
  标题:α,β-Unsaturated Thio Compounds. Xii. Synthesis And Properties Of S-Alkyl Derivatives Of 3-Aminoindene-1-Thiones
  作者:Korchevin,N. A.; Et Al
  参考文献:Zhurnal Organicheskoi Khimii 日期:1980 卷标:16(9) 页码:1842-7

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