CAS: 579-07-7; 1-Phenylpropane-1,2-Dione

• 英文名称1-Phenylpropane-1,2-Dione
• 中文名称1-苯基-1,2-丙二酮
• IUPAC名称1-phenylpropane-1,2-dione
• 其它别名1-苯基-1,2-丙二酮; 1苯基12丙二酮
• CAS编号579-07-7
• MFCD编号:MFCD00008755
• EINECS号:209-435-2
• FDA UNII编号:ZB5XA3GD0I
• 分子式:C9H8O2
• 分子量:148.16
• 产品CID: 1554104
• 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: BVQVLAIMHVDZEL-UHFFFAOYSA-N
• InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数2.0

物理性质

• 熔点<20 °C
• 沸点103-105°C at 760 mmHg
• 闪点84°C
• 密度1.1±0.1 g/cm3
• PSA:34.14
• LogP:1.4583
• 折射率1.520
• 蒸汽压0.1±0.5 mmHg at 25°C
• 溶解性可溶于氯仿,己烷(微量),甲醇(微量)
• 敏感性1. 存在于主流烟气中。
• 外观形态透明黄色液体
• 储存条件2-8°C, protect from light, stored under nitrogen
• 产品应用用途:本品用作光引发剂,医药中间体和食品添加剂等的重要原料.GB 2760―1996规定为允许使用的食品用香料.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS08;
  注释: Exclamation mark & Health hazard
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  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2
  呼吸道致敏 类别1
  皮肤致敏 类别1
  吸入危害 类别1
  易燃液体 类别2
  严重眼刺激 类别2A
• 警示词Danger(危险)
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  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.
  H334 |吸入可能引起过敏或哮喘症状或呼吸困难.
  H317 |可能引起皮肤过敏反应.
  H304 |吞咽并进入呼吸道可能致命.
  H225 |高度易燃液体和蒸气.
• 防范说明P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P403-P405-P501
• 危险品标志Xi:Irritant;
• 安全声明S26-S36
• 危险类别码R36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 93-91-4 = 579-07-7 + 120242-37-7 + 4435-51-2
  反应条件:1.1R:Et3N,S:Mecn,5 Min,Rt1.2R:P-Acnhc6H4So2N3,4-6 H,Rt2.1R:O2,C:Rh2(Oac)4,S:Ch2Cl2,5 Min,Rt; 3 H,Rt
  标题:Rhodium-Catalyzed Aerobic Conversion Of 2-Diazo-1,3-Dicarbonyls To Vicinal Tricarbonyl Compounds And Their In-Situ Stability Toward Oxidative Degradation
  作者:By Tsai,Yi-Ting And Zhu,Jia-Liang
  参考文献:Journal Of Molecular Structure 日期:2023 卷标:1274(Part_2) 页码:134521]
  
  = 579-07-7
  反应条件:1.1R:Acoh,R:Nano2,S:H2O,S:Mecn,12 H,Rt
  标题:Electrochemical Oxidative Cleavage Of Alkynes To Carboxylic Acids
  作者:By Feng,Qingyuan Et Al
  参考文献:Organic Letters 日期:2023 卷标:25(1) 页码:293-297]
  
  35947-99-0 = 579-07-7
  反应条件:1.1R:T-Buooh,S:Acoet,S:Me(Ch2)8Me,5 Min,Rt1.2C:32149-57-8,20 H,Rt
  标题:Mg(Otbu)2-Catalyzed C-H Oxidation Of α-Azido Arylethanones Using Tbhp As The Oxidant And Carbonyl Oxygen Source: Facile Access To Primary α-Ketoamides
  作者:By Peng,Ying-Ying Et Al
  参考文献:Organic Chemistry Frontiers 日期:2022 卷标:9(21) 页码:5858-5863]
  
  = 579-07-7
  反应条件:1.1R:Naoh,R:H2O2,C:Fe,S:H2O,12 H,90°C
  标题:One-Pot Cascade Synthesis Of α-Diketones From Aldehydes And Ketones In Water By Using A Bifunctional Iron Nanocomposite Catalyst
  作者:By Song,Tao Et Al
  参考文献:Green Chemistry 日期:2021 卷标:23(5) 页码:1955-1959]
  
  75-18-3 + 70-11-1 = 579-07-7
  反应条件:1.1R:R:O2,S:Thf,1 H,Rt1.2S:Meoh,0.5 H,Rt
  标题:Sterically Regulated α-Oxygenation Of α-Bromocarbonyl Compounds Promoted Using 2-Aryl-1,3-Dimethylbenzimidazolines And Air
  作者:By Hasegawa,Eietsu Et Al
  参考文献:Acs Omega 日期:2020 卷标:5(13) 页码:7651-7665]
  
  873-66-5 = 579-07-7
  反应条件:1.1R:T-Buooh,R:Bu4N+ i-,C:Fe,S:H2O,S:Mecn,12 H,90°C
  标题:A Bifunctional Iron Nanocomposite Catalyst For Efficient Oxidation Of Alkenes To Ketones And 1,2-Diketones
  作者:By Song,Tao Et Al
  参考文献:Acs Catalysis 日期:2020 卷标:10(8) 页码:4617-4629]
  
  7188-38-7 = 579-07-7
  反应条件:1.1C:Pdcl2,C:Ph2P(Ch2)3Pph2,S:Phme,5 Min,Rt1.2R:T-Buok,Rt -> 100°C; 16 H,100°C1.3R:HCL,S:H2O,S:Thf,1 H,Rt
  标题:Palladium-Catalyzed Synthesis Of 1,2-Diketones From Aryl Halides And Organoaluminum Reagents Using Tert-Butyl Isocyanide As The Co Source
  作者:By Chen,Bo And Wu,Xiao-Feng
  参考文献:Organic Letters 日期:2020 卷标:22(2) 页码:636-641]
  
  = 579-07-7 + 768-03-6
  反应条件:1.1R:C:866395-16-6,S:98-08-8,6 H,60°C
  标题:Nature Of The Nucleophilic Oxygenation Reagent Is Key To Acid-Free Gold-Catalyzed Conversion Of Terminal And Internal Alkynes To 1,2-Dicarbonyls
  作者:By Dubovtsev,Alexey Yu. Et Al
  参考文献:Journal Of Organic Chemistry 日期:2020 卷标:85(2) 页码:745-757]
  
  = 579-07-7
  反应条件:1.1R:Naio4,C:2381081-74-7,S:H2O,S:Me2Co,40 Min,Rt1.2R:Na2So3,S:H2O,S:Ch2Cl2,10 Min,Rt
  标题:Ancillary Ligands Switch The Activity Of Ru-Nhc-Based Oxidation Precatalysts
  作者:By Gupta,Suraj K. Et Al
  参考文献:Inorganica Chimica Acta 日期:2020 卷标:500 页码:119195]
  
  3623-15-2 = 579-07-7
  反应条件:1.1R:H2O,C:2368834-51-7,C:Ago3Scf3,S:Meoh,S:Ch2Cl2,2 H,80°C
  标题:Balancing Bulkiness In Gold(I) Phosphino-Triazole Catalysis
  作者:By Zhao,Yiming Et Al
  参考文献:Chemrxiv 日期:2019 卷标:From Chemrxiv 页码:1-17]
  
  = 579-07-7
  反应条件:1.1R:R:Lio-Bu-T,C:Cu(Oac)2,C:247940-06-3,S:H2O,S:Dioxane,S:Dmf,20 Min,Rt1.2R:O2,48 H,Rt1.3R:Nh4Cl,S:H2O
  标题:B2Pin2-Mediated Copper-Catalyzed Oxidation Of Alkynes Into 1,2-Diketones Using Molecular Oxygen
  作者:By Zhai,Yadong Et Al
  参考文献:Tetrahedron Letters 日期:2019 卷标:60(12) 页码:843-846]
  
  = 579-07-7
  反应条件:1.1C:2195356-04-6,C:Agno3,S:H2O,S:Dioxane,14 H,90°C
  标题:Synthesis Of A New Class Of Cationic Pd(Ii) Complexes With 1,2,3-Triazol-5-Ylidene Ligand And Their Catalytic Application In The Conversion Of Internal Alkynes To 1,2-Diketones
  作者:By Shaik,Jeelani Basha Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:2018 卷标:860 页码:1-8]
  
  = 579-07-7
  反应条件:1.1R:Mg,C:I2,S:Thf,Rt; 30 Min,Rt2.11-2 H,0°C3.1C:I2,S:Dmso,S:Dioxane,5 Min,Rt3.2R:24 H,80°C4.1R:S:Meoh,4 H,80°C
  标题:Halogen-Bonded Iodonium Ion Catalysis: A Route To α-Hydroxy Ketones Via Domino Oxidations Of Secondary Alcohols And Aliphatic C-H Bonds With High Selectivity And Control
  作者:By Guha,Somraj Et Al
  参考文献:Chemical Communications (Cambridge 日期:2017 卷标:53(79) 页码:10942-10945]
  
  = 579-07-7
  反应条件:1.1R:Dmso,C:Pd(Oac)2,C:Alcl3,24 H,90°C
  标题:Catalytic Oxidation Of Alkynes Into 1,2-Diketone Derivatives By Using A Pdii/lewis-Acid Catalyst
  作者:By Xue,Jing-Wen Et Al
  参考文献:Asian Journal Of Organic Chemistry 日期:2018 卷标:7(1) 页码:212-219]
  
  136213-12-2 = 579-07-7
  反应条件:1.1S:Me(Ch2)4Me,2-3 H,Rt2.1S:Me(Ch2)4Me,Rt; 12 H,Rt
  标题:Insertion Of An Isolable Dialkylstannylene Into C-Cl Bonds Of Acyl Chlorides Giving Acyl(Chloro)Stannanes
  作者:By Lu,Qiong Et Al
  参考文献:Organometallics 日期:2017 卷标:36(18) 页码:3633-3637]
  
  1934859-05-8 = 579-07-7
  反应条件:1.1S:Mecn,3-5 H,Reflux2.1R:Pyridine Oxide,S:Phme,2-5 H,Reflux
  标题:A Substrate-Dependent Reaction Of 1-Aryl-2-Alkyl-1,2-Diketones With 2-Aroyl-1-Chlorocyclopropanecarboxylates: Selective Access To 2',5'-Dicyclopropoxy-1,1':4',1''-Teraryls And Pentafulvenes
  作者:By Prakash,Meher Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2022 卷标:20(32) 页码:6445-6458]
  
  = 579-07-7 + 768-03-6
  反应条件:1.1R:C:866395-16-6 (Mcm-41-Bound),S:98-08-8,6 H,60°C
  标题:A Practical Access To 1,2-Dicarbonyls Via Oxidation Of Alkynes Catalyzed By Gold(I) Immobilized On Mcm-41
  作者:By Zeng,Jiajun Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:2022 卷标:976 页码:122435]
  
  = 579-07-7
  反应条件:1.1R:O2,C:39286-82-3 (Immobilized On Pop-Pph ₃),S:Dioxane,S:H2O,24 H,60°C
  标题:A Porous Organic Polymer Supported Pd/cu Bimetallic Catalyst For Heterogeneous Oxidation Of Alkynes To 1,2-Diketones
  作者:By Song,Jiaxin Et Al
  参考文献:Catalysis Science & Technology 日期:2022 卷标:12(3) 页码:722-727]
  
  591-50-4 + 98-68-0 = 579-07-7 + 1495845-37-8
  反应条件:1.1R:N2H4-H2O,S:Thf,0°C; 30-60 Min,0°C1.1R:Et3N,C:Cui,C:Pdcl2(Pph3)2,Overnight,Rt2.1R:Bu4N+ f-,R:H2O,S:Mecn,6 H,Rt
  标题:Electrochemically Promoted Bifunctionalization Of Alkynes For The Synthesis Of β-Keto Sulfones
  作者:By Wan,Hai-Lan Et Al
  参考文献:Asian Journal Of Organic Chemistry 日期:2021 卷标:10(12) 页码:3406-3410]
  
  = 579-07-7
  反应条件:1.1R:O2,C:Cui,S:Dmf,2 H,Rt -> 90°C
  标题:Copper(I)-Catalyzed Aerobic Oxidation Of α-Diazoesters
  作者:By Xu,Changming Et Al
  参考文献:Journal Of Organic Chemistry 日期:2020 卷标:85(19) 页码:12579-12584]
  
  = 579-07-7
  反应条件:1.1R:O2,R:K2(S2O8),S:H2O,S:Mecn,8 H,60°C
  标题:Catalyst-Free And Transition-Metal-Free Approach To 1,2-Diketones Via Aerobic Alkyne Oxidation
  作者:By Shen,Duyi Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(7) 页码:5354-5361]
  
  = 579-07-7
  反应条件:1.1R:O3,S:Ch2Cl2,S:Me2Co,8 Min,-78°C1.2R:O2,30 S1.3R:Pph3,S:Ch2Cl2,1 H,Rt
  标题:Ozonolysis Of Alkynes-A Flexible Route To Alpha-Diketones: Synthesis Of Ai-2
  作者:By Alterman,Joshua L. Et Al
  参考文献:Organic Letters 日期:2020 卷标:22(19) 页码:7424-7426]
  
  = 579-07-7
  反应条件:1.12.1R:Phi(Oac)2,R:Acoh,R:Dabco,S:Mecn,14-16 H,Rt2.2R:Et3N,2 H,Rt2.3R:Al2O3
  标题:Direct Umpolung Morita-Baylis-Hillman Like α-Functionalization Of Enones Via Enolonium Species
  作者:By Arava,Shlomy Et Al
  参考文献:Angewandte Chemie 日期:2020 卷标:59(35) 页码:15171-15175]
  
  = 579-07-7 + 65-85-0 + 90-63-1
  反应条件:1.1R:Codehydrase I,S:H2O,50 H,30°C
  标题:Biodegradation Of Ephedrine Isomers By Arthrobacter Sp. Strain Ts-15: Discovery Of Novel Ephedrine And Pseudoephedrine Dehydrogenases
  作者:By Shanati,Tarek And Ansorge-Schumacher,Marion B.
  参考文献:Applied And Environmental Microbiology 日期:2020 卷标:86(6) 页码:E02487-19]
  
  119-51-7 + 121453-00-7 = 579-07-7 + 65-85-0
  反应条件:1.1R:S:Meoh,2-3 Min,Rt1.2R:Et3N,S:Meoh,Overnight,Rt2.1R:O2,S:Benzene,8 H,298K
  标题:Bioinspired Oxidation Of Oximes To Nitric Oxide With Dioxygen By A Nonheme Iron(Ii) Complex
  作者:By Bhattacharya,Shrabanti Et Al
  参考文献:Jbic 日期:2020 卷标:25(1) 页码:3-11]
  
  = 579-07-7
  反应条件:1.1R:Na[bf4],R:Hco2H,R:O2,S:Dmf,S:H2O,8 H,Rt
  标题:Electrochemical Synthesis Of 1,2-Diketones From Alkynes Under Transition-Metal-Catalyst-Free Conditions
  作者:By Zhou,Jie Et Al
  参考文献:Chemical Communications (Cambridge 日期:2019 卷标:55(62) 页码:9208-9211]
  
  = 579-07-7
  反应条件:1.1C:I2,S:Dmso,24 H,60°C2.1R:O2,C:1317-61-9,S:Etoh,9 H,80°C
  标题:Magnetic Magnetite Nanoparticles Catalyzed Selective Oxidation Of α-Hydroxy Ketones With Air And One-Pot Synthesis Of Benzilic Acid And Phenytoin Derivatives
  作者:By Li,Xiaona Et Al
  参考文献:Molecular Catalysis 日期:2018 卷标:454 页码:63-69]
  
  = 579-07-7
  反应条件:1.1R:S:Ch2Cl2,10 Min,Rt1.2C:73482-96-9,Rt
  标题:Displacement Of Dinitrogen By Oxygen: A Methodology For The Catalytic Conversion Of Diazocarbonyl Compounds To Ketocarbonyl Compounds By 2,6-Dichloropyridine-N-Oxide
  作者:By Yu,Yang Et Al
  参考文献:Organic Letters 日期:2018 卷标:20(3) 页码:776-779

海关参考信息

• 2902600000-乙苯
  2912110000-甲醛
  2912120000-乙醛
  2912210000-苯甲醛
• 💡 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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• ➥ 防范代码详解
• ➥ 危险代码说明
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