CAS: 886-38-4; Diphenylcyclopropenone

• 英文名称Diphenylcyclopropenone
• 中文名称二苯基环丙烯酮
• IUPAC名称2,3-diphenylcycloprop-2-en-1-one
• 其它别名Dpc; Cyclopropenone, 2,3-Diphenyl-; Diphencyprone [mi]; Diphenylcyclopenone; Cyclopropenone,3-Diphenyl-; Diphenylcyclopropenone
• CAS编号886-38-4
• MFCD编号:MFCD00001311
• EINECS号:212-948-4
• FDA UNII编号:I7G14NW5EC
• 分子式:C15H10O
• 分子量:206.24
• 产品CID: 1902454
• 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: HCIBTBXNLVOFER-UHFFFAOYSA-N
• InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数2.0

物理性质

• 熔点118-122 °C
• 沸点305.09 °C at 760 mmHg
• 闪点182.7±23.7 °C
• 密度1.2±0.1 g/cm3
• PSA:17.07
• LogP:3.2564
• 折射率1.669
• 蒸汽压0.0±0.9 mmHg at 25°C
• 溶解性DMF:20.0(Max Conc. mg/mL);96.97(Max Conc. Mm) DMSO:20.0(Max Conc. mg/mL);96.97(Max Conc. Mm) DMSO:Pbs (Ph 7.2) (1:1):0.5(Max Conc. mg/mL);2.42(Max Conc. Mm) Ethanol:14.0(Max Conc. mg/mL);67.88(Max Conc. Mm)
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态微粉橙色至米色结晶粉末
• 储存条件存储低于 +30°C.
• 产品应用该化合物用于局部免疫疗法.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  皮肤致敏 类别1
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H317 |可能引起皮肤过敏反应.
  H335 |可能引起呼吸道刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P272-P280-P302+P352-P363-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明36/37
• 危险类别码38-43
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 6262-42-6 = 886-38-4
  反应条件:1.1 Reagents: Aluminum Chloride Solvents: Dichloromethane; -78 °C; 2 H,-78 °C; -78 °C -> Rt; 2 H,Rt1.2 Reagents: Water; Rt
  标题:Palladium-Catalyzed C-C Bond Activation Of Cyclopropenone: Modular Access To Trisubstituted α,β-Unsaturated Esters And Amides
  作者:Nanda,Tanmayee; Biswal,Pragati; Pati,Bedadyuti Vedvyas; Banjare,Shyam Kumar; Ravikumar,Ponneri Chandrababu
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(3) 页码:2682-2695]
  
  958-79-2 = 886-38-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 1 H,23 °C; 30 Min,23 °C1.2 Reagents: Sulfuric Acid Solvents: Water; 0 °C
  标题:Cyclopropenium-Activated Cyclodehydration Of Diols
  作者:Kelly,Brendan D.; Lambert,Tristan H.
  参考文献:Organic Letters 日期:2011 卷标:13(4) 页码:740-743]
  
  501-65-5 + 81290-20-2 = 886-38-4
  反应条件:1.1 Reagents: Sodium Iodide Solvents: Tetrahydrofuran; 6 H,100 °C1.2 Reagents: Water; 12 H,Rt
  标题:Deconstructive Cycloaromatization Strategy Toward N,O-Bidentate Ligands From Indolizines And Cyclopropenones
  作者:Zhou,Jinlei; Shi,Xiaotian; Zheng,Huitao; Chen,Guangxian; Zhang,Chen; Et Al
  参考文献:Organic Letters 日期:2022 卷标:24(17) 页码:3238-3243]
  
  958-79-2 = 886-38-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 1 H,Rt; 30 Min,Rt1.2 Reagents: Sulfuric Acid Solvents: Water; 0 °C
  标题:Cyclopropenone Catalyzed Substitution Of Alcohols With Mesylate Ion
  作者:Nacsa,Eric D.; Lambert,Tristan H.
  参考文献:Organic Letters 日期:2013 卷标:15(1) 页码:38-41]
  
  = 886-38-4
  反应条件:1.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)Pyridine Solvents: Tetrahydrofuran; 60 Min,Rt1.2 Reagents: Bromine Solvents: Acetic Acid; Rt; 3 H,Rt1.3 Reagents: Triethylamine Solvents: Dichloromethane; 1 H,Rt
  标题:Iron-Catalyzed One-Step Synthesis Of Isothiazolone/1,2-Selenazolone Derivatives Via [3+1+1] Annulation Of Cyclopropenones,Anilines,And Elemental Chalcogens
  作者:Wang,Hongchen; Yan,Rulong
  参考文献:Advanced Synthesis & Catalysis 日期:2022 卷标:364(4) 页码:715-719]
  
  958-79-2 = 886-38-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 1 H,Rt; 30 Min,Rt
  标题:Gas-Phase Synthesis Of Hydrodiphenylcyclopropenylium Via Nonclassical Favorskii Rearrangement From Alkali-Cationized α,α'-Dibromodibenzyl Ketone
  作者:Zhao,Zhi-Xiong; Wang,Hao-Yang; Xu,Chu; Guo,Yin-Long
  参考文献:Rapid Communications In Mass Spectrometry 日期:2010 卷标:24(17) 页码:2665-2672]
  
  958-79-2 = 886-38-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane
  标题:Diphenylcyclopropenone
  作者:Breslow,Ronald; Eicher,Theo; Krebs,Adolf; Peterson,Ruth A.; Posner,Judd
  参考文献:Journal Of The American Chemical Society 日期:1965 卷标:87(6) 页码:1320-5]
  
  102-04-5 = 886-38-4
  反应条件:1.1 Reagents: Acetic Acid,Triethylamine,Bromine Solvents: Acetic Acid,Dichloromethane
  标题:Diphenylcyclopropenone
  作者:Breslow,R.; Posner,J.
  参考文献:Organic Syntheses 日期:1967 卷标:47 页码:62-3]
  
  68970-03-6 = 886-38-4
  反应条件:1.1 Reagents: Water Solvents: Acetonitrile
  标题:Synthesis Of Diphenylcyclopropenone
  作者:Breslow,Ronald; Haynie,Robert; Mirra,Joseph
  参考文献:Journal Of The American Chemical Society 日期:1959 卷标:81 页码:247-8]
  
  121104-69-6 = 886-38-4
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Chloroform,Water
  标题:Cyclopropenone Oximes. Preparation And Reaction With Isocyanates
  作者:Yoshida,Hiroshi; Ohtsuka,Hideki; Yoshida,Keisuke; Totani,Yoshiyuki; Ogata,Tsuyoshi; Et Al
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1988 卷标:61(12) 页码:4347-51]
  
  6262-42-6 = 886-38-4
  反应条件:1.1 Reagents: Aluminum Chloride Solvents: Dichloromethane; -78 °C; 2 H,-78 °C; -78 °C -> Rt; 2 H,Rt1.2 Reagents: Water; Rt
  标题:A Palladium-Catalyzed Cascade C-C Activation Of Cyclopropenone And Carbonylative Amination: Easy Access To Highly Functionalized Maleimide Derivatives
  作者:Nanda,Tanmayee; Ravikumar,P. C.
  参考文献:Organic Letters 日期:2020 卷标:22(4) 页码:1368-1374]
  
  6262-42-6 = 886-38-4
  反应条件:1.1 Catalysts: Aluminum Chloride Solvents: Dichloromethane; -78 °C; 2 H,-78 °C; -78 °C -> Rt; 2 H,Rt1.2 Reagents: Water
  标题:Polysubstituted Pyrrole Derivatives Via 1,2-Alkenyl Migration Of Novel γ-Amino-α,β-Unsaturated Aldehydes And α-Diazocarbonyls
  作者:Cai,Shuting; Zeng,Jing; Li,Yongxin; Liu,Xue-Wei
  参考文献:Rsc Advances 日期:2014 卷标:4(14) 页码:7275-7278]
  
  2570-01-6 = 886-38-4 [标题:Reaction Conditions
  标题:Strain Assisted α-Cleavage Reactions Of Thio Ketones: Diphenylcyclopropenethione
  作者:Singh,Sharat; Bhadbhade,M. M.; Venkatesan,K.; Ramamurthy,V.
  参考文献:Journal Of Organic Chemistry 日期:1982 卷标:47(18) 页码:3550-3]
  
  = 886-38-4
  反应条件:1.1 Reagents: Dicyclohexylcarbodiimide,4-(Dimethylamino)Pyridine Solvents: Tetrahydrofuran; 24 H,Rt1.2 Reagents: Bromine Solvents: Acetic Acid; Rt; 3 H,Rt1.3 Reagents: Triethylamine Solvents: Dichloromethane; 1 H,Rt
  标题:Cascade Ring-Opening Dual Halogenation Of Cyclopropenones With Saturated Oxygen Heterocycles
  作者:Miao,Wei-Hang; Gao,Wen-Xia; Huang,Xiao-Bo; Liu,Miao-Chang; Zhou,Yun-Bing; Et Al
  参考文献:Organic Letters 日期:2021 卷标:23(24) 页码:9425-9430]
  
  501-65-5 = 886-38-4
  反应条件:1.1 Solvents: Benzene; 16 H,60 °C1.2 Reagents: Hydrochloric Acid Solvents: Acetic Acid,Water; 2 H,80 °C
  标题:Alkyne And Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis Of Cyclopropenes,Cyclopropenones,And Azirines
  作者:Moerdyk,Jonathan P.; Bielawski,Christopher W.
  参考文献:Journal Of The American Chemical Society 日期:2012 卷标:134(14) 页码:6116-6119]
  
  6262-42-6 = 886-38-4
  反应条件:1.1 Reagents: Aluminum Chloride Solvents: Dichloromethane; 30 Min,Rt; 90 Min,Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Rt
  标题:Synthesis,Characterization,And Oxidation Electrochemistry Of Some Novel 1,2-Dithiol-3-Ones And 1,2-Dithiol-3-Thiones Containing Aryl And Metallocenyl Fragments
  作者:Sanchez Garcia,Jessica J.; Joo-Cisneros,Rene S.; Garcia-Bassoco,David; Flores-Alamo,Marcos; Stivalet,Jose M. Mendez; Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:2021 卷标:944]
  
  958-79-2 = 886-38-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 1 H,Rt
  标题:Rh(Iii)-Catalyzed [3 + 3] Annulation Reaction Of Cyclopropenones And Sulfoxonium Ylides Toward Trisubstituted 2-Pyrones
  作者:Zhou,Peng; Yang,Wei-Tao; Rahman,Anis Ur; Li,Guigen; Jiang,Bo
  参考文献:Journal Of Organic Chemistry 日期:2020 卷标:85(2) 页码:360-366]
  
  958-79-2 = 886-38-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 1 H,23 °C; 30 Min,23 °C1.2 Reagents: Sulfuric Acid Solvents: Water; Cooled1.3 Reagents: Sodium Carbonate; Neutralized
  标题:Aromatic Cation Activation Of Alcohols: Conversion To Alkyl Chlorides Using Dichlorodiphenylcyclopropene
  作者:Kelly,Brendan D.; Lambert,Tristan H.
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(39) 页码:13930-13931]
  
  958-79-2 = 886-38-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane
  标题:Synthesis Of Cyclopropenones By A Modified Favorskii Reaction
  作者:Breslow,Ronald; Posner,Judd; Krebs,Adolf
  参考文献:Journal Of The American Chemical Society 日期:1963 卷标:85]
  
  501-65-5 + 81290-20-2 = 886-38-4
  反应条件:1.1 Reagents: Sodium Iodide Solvents: Tetrahydrofuran; Overnight,100 °C1.2 Solvents: Water; 4 H,Rt
  标题:Divergent Synthesis Of Tetrasubstituted Phenols Via [3 + 3] Cycloaddition Reaction Of Vinyl Sulfoxonnium Ylides With Cyclopropenones
  作者:Chen,Shao-Yong; Zeng,Yao-Fu; Zou,Wen-Xuan; Shen,Dan-Ting; Zheng,Yi-Chuan; Et Al
  参考文献:Organic Letters 日期:2023 卷标:25(23) 页码:4286-4291

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