CAS: 7787-20-4; (-)-Fenchone

• 英文名称(-)-Fenchone
• 中文名称(-)-小茴香酮
• IUPAC名称(1R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
• 其它别名Unii-K6G5Y2Y3Q2 ; (-)-Fenchone, Analytical Standard ; 2H-Indol-2-One, 7-Benzoyl-1,3-Dihydro- ; Bicyclo(2.2.1)Heptan-2-One, 1,3,3-Trimethyl-, (1Theta)- ; Fenchon ; Methyl 5-Chloro-2-Nitrobenzenecarboxylate ; Ferri (59 Fe) Citratis Injectio ; Bicyclo[2.2.1]
• CAS编号7787-20-4
• MFCD编号:MFCD00151104
• EINECS号:232-107-5
• 分子式:C10H16O
• 分子量:152.23
• 产品CID: 1773678
• 产品分类有机原料→分子砌块→桥环类化合物→其它桥环类化合物

• 相似结构搜索
• InChIKey: LHXDLQBQYFFVNW-OIBJUYFYSA-N
• InChI=1/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数0.0

相似化合物

物理性质

• 熔点5-6 °C
• 沸点192-194 °C at 760 mmHg
• 闪点52°C
• 密度0.948 g/mL at 25 °C(文献)
• PH:[α]D20 -50～-60° (c=4, C2H5OH)
• PSA:17.07
• LogP:2.4017
• 折射率n 20/D 1.461(文献)
• 蒸汽压2.149hPa at 20°C
• 溶解性Chloroform (Slightly), Ethanol (Slightly, Sonicated)
• 外观形态透明无色至淡黄色液体
• 储存条件2-8°C
• 产品应用该化合物用作制作 ENANTOPURE C(7) 抗替代芬乃酮作为新的手性来源.
• 性质描述0.948g/mLat 25°C, 折光系数 n 20/D 1.461,闪点 127°F,熔点5°C,沸点192-194°C

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
  易燃液体 类别3
• 警示词Danger
• 危险描述H411 |对水生生物有毒并具有长期持续影响.
  H226 |易燃液体和蒸气.
• 防范说明P210-P280-P302+P352-P304+P340-P370+P378
• 危险等级3
• UN编号1230.0
• 包装等级Ⅱ
• 安全声明23-24/25
• 危险类别码10
• WGK Germany3

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 (-)-Fenchone 主要起始原料 (+)-Fenchol
• 2217-02-9 = 7787-20-4
  反应条件:1.1R:H2O2,C:2958697-05-5,S:H2O,9 H,90°C
  标题:Comparative Study Of Catalytic Activity Of Tetrameric Lanthanide-Substituted Polyoxotungstates [(Ln2Xw10O38)4(W3O8)(Oh)4(H2O)2]N- (X = Siiv,Geiv & Pv And N = 26 Or 25) For The Oxidation Of Alcohols
  作者:By Hussain,Firasat Et Al
  参考文献:Inorganica Chimica Acta 日期:2022 卷标:536 页码:120893]
  
  1632-73-1 = 7787-20-4
  反应条件:1.1R:T-Buooh,C:2073071-63-1,S:H2O,1 H,120°C
  标题:Copper(Ii) And Iron(Iii) Complexes With Arylhydrazone Of Ethyl 2-Cyanoacetate Or Formazan Ligands As Catalysts For Oxidation Of Alcohols
  作者:By Martins,Nuno M. R. Et Al
  参考文献:New Journal Of Chemistry 日期:2016 卷标:40(12) 页码:10071-10083]
  
  1195-79-5 = 7787-20-4 + 4695-62-9
  反应条件:1.1
  标题:Study Of Chiral Ionic Liquid As Stationary Phases For Gc
  作者:By Sun,Xiaojie Et Al
  参考文献:Chromatographia 日期:2013 卷标:76(15-16) 页码:1013-1019]
  
  2217-02-9 = 7787-20-4
  反应条件:1.1R:S:Dmso
  标题:2-Iodoxybenzoic Acid Oxidation Of Hydroxyl Groups To Carbonyls
  作者:By Frigerio,Marco And Santagostino,Marco
  参考文献:Ger. 日期:From Ger.,4343054,24 May 1995 卷标:4343054 页码:24 May 1995]
  
  2217-02-9 = 7787-20-4
  反应条件:1.1R:S:Dmso1.2R:Disodium Carbonate,S:H2O
  标题:Process For The Oxidation Of Primary And Secondary Alcohols To Aldehydes And Ketones And For The Oxidation Of 1,2-Diols To Alpha-Ketols And Alpha-Diketones Using O-Iodoxybenzoic Acid
  作者:By Frigerio,Marco Et Al
  参考文献:Eur. Pat. Appl. 日期:From Eur. Pat. Appl.,658533,21 Jun 1995 卷标:658533 页码:21 Jun 1995]
  
  2217-02-9 = 7787-20-4
  反应条件:1.1R:Amberlyst A 26 (Reaction Products With Lii,(Diacetoxyiodo),R:Lii (Reaction Products With Amberlyst A26),R:Me3Sin3 (Reaction Products With Amberlyst A26),S:Mecn,6 H,Rt
  标题:Photochemical Transformations With Iodine Azide After Release From An Ion-Exchange Resin
  作者:By Koesel,Teresa Et Al
  参考文献:Angewandte Chemie 日期:2020 卷标:59(30) 页码:12376-12380]
  
  2217-02-9 = 7787-20-4
  反应条件:1.1R:Oxone,C:2381218-21-7 (Polystyrene Resin-Supported),C:Bu4N+ hso4-,S:Mecn,3 H,70°C
  标题:Oxidation Of Secondary Alcohols Using Solid-Supported Hypervalent Iodine Catalysts
  作者:By Ballaschk,Frederic And Kirsch,Stefan F.
  参考文献:Green Chemistry 日期:2019 卷标:21(21) 页码:5896-5903]
  
  53402-11-2 = 7787-20-4
  反应条件:1.1R:O2,C:36309-88-3,S:Cd3Od,3 H,Rt
  标题:Photochemical Oxidation Of Thioketones By Singlet Molecular Oxygen Revisited: Insights Into Photoproducts,Kinetics,And Reaction Mechanism
  作者:By Sanchez-Arroyo,Antonio J. Et Al
  参考文献:Journal Of Organic Chemistry 日期:2015 卷标:80(21) 页码:10575-10584]
  
  1627736-99-5 = 7787-20-4
  反应条件:1.1R:Nabro3,C:113230-84-5,C:HCL,S:H2O,S:Ch2Cl2,4 H,Rt
  标题:4-Benzamido-Tempo Catalyzed Oxidation Of A Broad Range Of Alcohols To The Carbonyl Compounds With Nabro3 Under Mild Conditions
  作者:By Shen,Jiaxuan Et Al
  参考文献:Chinese Journal Of Chemistry 日期:2014 卷标:32(5) 页码:405-409]
  
  2217-02-9 = 7787-20-4
  反应条件:1.1
  标题:Synthesis By Oxidation Of Heterosubstituted Alkanes
  作者:By Von Angerer,S.
  参考文献:Science Of Synthesis 日期:2005 卷标:26 页码:39-126]
  
  791620-43-4 = 7787-20-4 + 791620-52-5
  反应条件:1.1620°C,0.02-0.04 Mbar
  标题:An Unusual Domino Retro-Ene-Conia Reaction: Regio- And Stereoselective One-Carbon Ring Expansion Of Fenchol Derivatives
  作者:By Ruedi,Georg Et Al
  参考文献:Helvetica Chimica Acta 日期:2004 卷标:87(8) 页码:1990-2021]
  
  14575-74-7 = 7787-20-4
  反应条件:1.1R:Mno2,R:K2Co3,C:126420-28-8,C:719-22-2,S:Thf
  标题:Ruthenium-Catalyzed Oxidation Of Nonactivated Alcohols By Mno2
  作者:By Karlsson,Ulrika Et Al
  参考文献:Journal Of Organic Chemistry 日期:1994 卷标:59(5) 页码:1196-8]
  
  131062-94-7 = 7787-20-4 + 137255-12-0
  反应条件:1.1R:Koh,S:Nmp
  标题:Synthesis Of Earthy-Mouldy Smelling Compounds. Ii. Ethyl α-And β-Fenchols
  作者:By Gosselin,P. Et Al
  参考文献:Tetrahedron Letters 日期:1990 卷标:31(22) 页码:3151-4]
  
  14575-74-7 = 7787-20-4
  反应条件:1.1C:Fe(No3)3
  标题:Oxidation Of Alcohols By Clay-Supported Iron(Iii) Nitrate; A New Efficient Oxidizing Agent
  作者:By Cornelis,Andre And Laszlo,Pierre
  参考文献:Synthesis 日期:1980 卷标:(10) 页码:849-50

海关参考信息

• 2912110000-甲醛
  2912120000-乙醛
  2914110000-丙酮
  2914120000-丁酮
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