CAS: 897-78-9; -2,6-Dibenzylidenecyclohexanone

• 英文名称-2,6-Dibenzylidenecyclohexanone
• 中文名称2,6-二苯亚甲基环己酮
• IUPAC名称2,6-di((E)-benzylidene)cyclohexan-1-one
• 其它别名2,6-Dibenzylidenecyclohexan-1-One; Cyclohexanone, 2,6-Bis(Phenylmethylene)-; 1,3-Dibenzylidene-2-Cyclohexanone; 1,3-Dibenzal-2-Cyclohexanone; 2,6-Dibenzylidenecyclohexanone; 2
• CAS编号897-78-9
• MFCD编号:MFCD00019516
• EINECS号:212-981-4
• 分子式:C20H18O分子量:274.36
• 产品CID: 1919426
• 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
• InChIKey: CTKKGXDAWIAYSA-UHFFFAOYSA-N
• InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14-,19-15+
• 计算化学: 氢键受体数1.0氢键供体数*可旋转键数2.0

物理性质

• 熔点118-119 °C
• 沸点377.34 °C at 760 mmHg
• 闪点207.5 °C
• 密度1.15g/cm3
• PSA:17.07
• LogP:4.9066
• 折射率1.669
• 蒸汽压5.58E-09 mmHg at 25 °C
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态淡黄色至黄色至橙色粉末至晶体
• 储存条件密封, 常温干燥保存

MSDS等安全信息

• GHS象形图
• GHS符号GHS09;
  注释: Environment
• 危险类别水生慢性毒性 类别2
• 警示词Warning
• 危险描述H411 |对水生生物有毒并具有长期持续影响.
• 防范说明P273-P391-P501
• 危险等级9
• UN编号3077.0
• 包装等级Ⅲ
• 安全声明24/25

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 2,6-Dibenzylidenecyclohexanone 主要起始原料 Cyclohexanone And Benzaldehyde
• 100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: 2,6,7-Trioxa-1-Silabicyclo[2.2.1]Heptane-1-Propanesulfonic Acid; 180 Min,80 °C
  标题:Cross-Aldol Condensation Of Cycloalkanones And Aromatic Aldehydes In The Presence Of Nanoporous Silica-Based Sulfonic Acid (Sio2-Pr-So3H) Under Solvent Free Conditions
  作者:Ziarani,Ghodsi Mohammadi; Badiei,Alireza; Abbasi,Alireza; Farahani,Zahra
  参考文献:Chinese Journal Of Chemistry 日期:2009 卷标:27(8) 页码:1537-1542]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: 1-Butyl-3-Methylimidazolium Hydrogen Sulfate Solvents: 1-Butyl-3-Methylimidazolium Hydrogen Sulfate; 1 H,Rt
  标题:Facile Aldol Reaction Between Unmodified Aldehydes And Ketones In Bronsted Acid Ionic Liquids
  作者:Liu,Bao-You; Zhao,Di-Shun; Xu,Dan-Qian; Xu,Zhen-Yuan
  参考文献:Chemical Research In Chinese Universities 日期:2007 卷标:23(5) 页码:549-553]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Reagents: Titanium Tetrachloride Solvents: Dichloromethane,Perfluorohexane; 5 H,23 °C
  标题:Phase-Vanishing Method Applied To Condensation Reactions Using Ticl4
  作者:Adachi,Yusuke; Kuniyoshi,Kenji; Matsubara,Hiroshi
  参考文献:Journal Of Fluorine Chemistry 日期:2017 卷标:197 页码:100-105]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: Molybdenum Pentachloride; 3 Min,Heated
  标题:Green,Rapid,And Highly Efficient Syntheses Of α,α-Bis[(Aryl Or Allyl)Idene]Cycloalkanones And 2-[(Aryl Or Allyl)Idene]-1-Indanones As Potentially Biologic Compounds Via Solvent-Free Microwave-Assisted Claisen-Schmidt Condensation Catalyzed By Mocl5
  作者:Bakhshi,Reza; Zeynizadeh,Behzad; Mousavi,Hossein
  参考文献:Journal Of The Chinese Chemical Society (Weinheim 日期:2020 卷标:67(4) 页码:623-637]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: Zirconium Dioxide (Sulfated Zirconia),Sulfuric Acid; 18 Min,90 - 120 °C
  标题:Microwave-Assisted Solvent-Free Synthesis Of α,α'-Bis(Substituted Benzylidene)Cycloalkanones Catalyzed By So2-4/zro2 And B2O3/zro2
  作者:Jadhav,Sumit V.; Suresh,Eringathodi; Bajaj,Hari C.
  参考文献:Green Chemistry Letters And Reviews 日期:2011 卷标:4(3) 页码:249-256]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: Ruthenium Trichloride; 6 H,120 °C
  标题:Ruthenium(Iii) Chloride
  作者:Mckinney,Jeffrey A.; Che,Chi-Ming; Wong,Man-Kin; Gore,Ernest S.; Campbell,Alison N.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2013 卷标:1 页码:1-11]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: 12-Tungstophosphoric Acid,Silica; 70 Min,Rt
  标题:Nano Silica With High Surface Area From Rice Husk As A Support For 12-Tungstophosphoric Acid: An Efficient Nano Catalyst In Some Organic Reactions
  作者:Rafiee,Ezzat; Shahebrahimi,Shabnam
  参考文献:Cuihua Xuebao 日期:2012 卷标:33(8) 页码:1326-1333]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: Zirconium Chloride (Zrcl4) Solvents: Ethanol; 5 H,Reflux; Reflux -> Rt
  标题:Zrcl4 As An Efficient Catalyst For Crossed-Aldol Condensation Of Cyclic Ketones With Aromatic Aldehydes In Refluxing Ethanol
  作者:Khodaei,Mohammad Mehdi; Bahrami,Kiumars; Khedri,Mohammad
  参考文献:Journal Of The Chinese Chemical Society (Taipei 日期:2007 卷标:54(3) 页码:807-810]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: 2922511-39-3 (Bonded On Hy Zeolite); 120 Min,Rt
  标题:Functionalize Of Zn (Ii) Complexes Of Thiosemicarbazones Schiff Bases And Tryptophan As An Auxiliary Ligand On Hy Zeolite,Synthesis,Characterization And Catalytic Activity For Organic Transition
  作者:Tavakoli,Fatemeh; Zendehdel,Mojgan
  参考文献:Materials Chemistry And Physics 日期:2023 卷标:301]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: (T-4)-Trichloro(1,1,1-Trifluoromethanesulfonato-Ko)Titanium
  标题:Aldol Condensation Of Cycloalkanones With Aromatic Aldehydes Catalyzed With Ticl3(So3Cf3)
  作者:Iranpoor,N.; Zeynizadeh,B.; Aghapour,A.
  参考文献:Journal Of Chemical Research 日期:1999 卷标:(9) 页码:554-555]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: Sodium Hydroxide; 5 Min,Rt
  标题:A Facile Solvent Free Claisen-Schmidt Reaction: Synthesis Of α,α'-Bis-(Substituted-Benzylidene)Cycloalkanones And α,α'-Bis-(Substituted-Alkylidene)Cycloalkanones
  作者:Rahman,A. F. M. Motiur; Ali,Roushown; Jahng,Yurngdong; Kadi,Adnan A.
  参考文献:Molecules 日期:2012 卷标:17 页码:571-583]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: Titania; 2 Min,Heated
  标题:Solvent Free Synthesis Of Quinoxalines,Dipyridophenazines And Chalcones Under Microwave Irradiation With Sulfated Degussa Titania As A Novel Solid Acid Catalyst
  作者:Krishnakumar,B.; Swaminathan,M.
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2011 卷标:350(1-2) 页码:16-25]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: Potassium Hydroxide Solvents: Ethanol; 20 S,40 °C
  标题:Fast,Facile And Convenient Synthesis Of α,α-Bis(Substituted-Arylidene) Cycloalkanones,An Improved Protocol
  作者:Mahdavinia,Gholam Hossein; Mirzazadeh,Maryam
  参考文献:Journal Of Chemistry 日期:2012 卷标:9(1) 页码:49-54]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: Alumina; 30 S,Rt; 180 S; 30 S; 30 S
  标题:Solvent-Free Crossed Aldol Condensation Of Cyclic Ketones With Aromatic Aldehydes Assisted By Microwave Irradiation
  作者:Esmaeili,Abbas A.; Tabas,Mehri Salimi; Nasseri,Mohammad A.; Kazemi,Foad
  参考文献:Monatshefte Fuer Chemie 日期:2005 卷标:136(4) 页码:571-576]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: Thionyl Chloride Solvents: Ethanol; 2 H,< 0 °C
  标题:Synthesis Of α,α'-Bis(Substituted Benzylidene)Ketones Catalyzed By A Socl2/etoh Reagent
  作者:Hu,Zhi Guo; Liu,Jun; Zeng,Ping Li; Dong,Zhi Bing
  参考文献:Journal Of Chemical Research 日期:2004 卷标:(1) 页码:55-56]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: Hexadecyltrimethylammonium Bromide,Sodium Hydroxide Solvents: Water; 7 H,60 °C
  标题:Cross-Aldol And Knoevenagel Condensation Reactions In Aqueous Micellar Media
  作者:Shrikhande,Janhavi J.; Gawande,Manoj B.; Jayaram,Radha V.
  参考文献:Catalysis Communications 日期:2008 卷标:9(6) 页码:1010-1016]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: Hydrotalcite (Mg6(Co3)[al(Oh)6]2(Oh)4.4H2O); Rt -> 120 °C; 8 H,120 °C; 120 °C -> Rt
  标题:Catalytic Condensation Of Aromatic Aldehydes With Ketones On Mg/al Hydrotalcite
  作者:Al-Esaimi,Matar M.
  参考文献:Journal Of Ultra Chemistry 日期:2006 卷标:2(2) 页码:133-140]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: Ammonium Chloride; 3 Min
  标题:Ammonium Chloride Catalyzed Microwave-Assisted Claisen-Schmidt Reaction Between Ketones And Aldehydes Under Solvent-Free Conditions
  作者:Pal,Rammohan
  参考文献:Iosr Journal Of Applied Chemistry 日期:2013 卷标:3(4) 页码:74-80]
  
  100-52-7 = 897-78-9
  反应条件:1.1 Catalysts: Lithium Hydroxide,Monohydrate Solvents: Ethanol; 10 Min,25 - 30 °C1.2 35 Min,25 - 30 °C
  标题:Dual-Activation Protocol For Tandem Cross-Aldol Condensation: An Easy And Highly Efficient Synthesis Of α,α'-Bis(Aryl/alkylmethylidene)Ketones
  作者:Bhagat,Srikant; Sharma,Ratnesh; Chakraborti,Asit K.
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2006 卷标:260(1-2) 页码:235-240

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902300000-甲苯
  2902500000-苯乙烯
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