CAS: 91393-49-6; 2-(2-Chlorophenyl)Cyclohexanone

该化合物是一种氯化环己酮衍生物,在2号位置上有一个替代苯基的替代物,该化合物因其结构特征而对有机合成感兴趣,因为它是制药,农用化学品和特殊化学品的多种中间体.该化合物的存在会增强反应性,通过核生殖替代或减少等反应促进进一步功能化.其环己酮核心提供了一个硬框架,在立体选择性合成中有用.该化合物通常在受控制的条件下处理,因为它具有回活动性和对水分或光的潜在敏感性.建议适当的储存和处理为实验室或工业应用保持稳定性和纯度.

英文名称2-(2-Chlorophenyl)Cyclohexanone
中文名称2-(2-氯苯基)环己酮
IUPAC名称2-(2-chlorophenyl)cyclohexan-1-one
CAS编号91393-49-6
MFCD编号:MFCD03090804
分子式:C12H13ClO
分子量:208.68
产品CID: 1949644
产品分类有机原料 → 杂环化合物

相似结构搜索
InChIKey: UOEXWLLNMGAJDD-UHFFFAOYSA-N
InChI=1S/C12H13ClO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7,10H,2,4,6,8H2…
计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数1.0

物理性质

熔点60-62 °C
沸点308.8±42.0 °C(预测)
密度1.165±0.06 g/cm3(预测)
LogP:3.3
外观形态白色结晶性粉末
产品应用该化合物用于通过Α-酮分子内分子内蛋白奥氏变异,通过-磷光催化的分子内激素来制作苯并呋喃.

MSDS等安全信息

合成工艺路线路线简述

合成目标产物 2-(2-Chlorophenyl)Cyclohexanone 主要起始原料 2-Bromochlorobenzene
91767-29-2 = 91393-49-6
反应条件:1.1 Reagents: Sodium Bicarbonate,Dess-Martin Periodinane Solvents: Dichloromethane; Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water
标题:P-Toluenesulfonic Acid Catalysed Fluorination Of α-Branched Ketones For The Construction Of Fluorinated Quaternary Carbon Centres
作者:Tang,Shi-Zhong; Et Al
参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(87) 页码:12377-12380]

3900-89-8 + 81447-34-9 = 91393-49-6
反应条件:1.1 Reagents: Triethylamine Catalysts: D-Tartaric Acid Solvents: Mesitylene; 24 H,110 °C
标题:Transition Metal-Free Synthesis Of α-Aryl Ketones Via Oxyallyl Cation Capture With Arylboronic Acids
作者:Huang,Wei-Hua; Et Al
参考文献:Organic Chemistry Frontiers 日期:2020 卷标:7(17) 页码:2480-2485]

615-41-8 = 91393-49-6
反应条件:1.1 Reagents: Pyrrolidine Catalysts: Acridinium,3,6-Bis(Dimethylamino)-9-[4-(Dimethylamino)-2,6-Dimethoxyphenyl]-9,1... Solvents: Acetonitrile; 48 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized
标题:Photoredox α-Arylation Of Carbonyl Compounds
作者:Hossain,Mubarak Md; Et Al
参考文献:Chemrxiv 日期:2021 卷标:1 页码:1-23]

= 91393-49-6
反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -78 °C; 1 H,-78 °C1.2 Reagents: Boron Trifluoride Etherate; -78 °C; -78 °C1.3 Reagents: Sodium Bicarbonate Solvents: Water; -78 °C2.1 Reagents: Sodium Bicarbonate,Dess-Martin Periodinane Solvents: Dichloromethane; Rt2.2 Reagents: Sodium Thiosulfate Solvents: Water
标题:P-Toluenesulfonic Acid Catalysed Fluorination Of α-Branched Ketones For The Construction Of Fluorinated Quaternary Carbon Centres
作者:Tang,Shi-Zhong; Et Al
参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(87) 页码:12377-12380]

17465-36-0 = 91393-49-6 + 1709851-28-4
反应条件:1.1 Reagents: Methanesulfonamide,Potassium Ferricyanide Catalysts: Osmium Tetroxide,(Dhq)2Phal2.1 Reagents: Trifluoromethanesulfonic Acid; 5 H,-20 °C
标题:Asymmetric Synthesis Of (S)- And (R)-Norketamine Via Sharpless Asymmetric Dihydroxylation/ritter Amination Sequence
作者:Biermann,Manfred; Et Al
参考文献:Tetrahedron Letters 日期:2015 卷标:56(20) 页码:2608-2610]

91767-28-1 = 91393-49-6 + 1709851-28-4
反应条件:1.1 Reagents: P-Toluenesulfonic Acid Solvents: Toluene; Reflux2.1 Reagents: Methanesulfonamide,Potassium Ferricyanide Catalysts: Osmium Tetroxide,(Dhq)2Phal3.1 Reagents: Trifluoromethanesulfonic Acid; 5 H,-20 °C
标题:Asymmetric Synthesis Of (S)- And (R)-Norketamine Via Sharpless Asymmetric Dihydroxylation/ritter Amination Sequence
作者:Biermann,Manfred; Et Al
参考文献:Tetrahedron Letters 日期:2015 卷标:56(20) 页码:2608-2610]

373600-67-0 = 91393-49-6
反应条件:1.1 Reagents: Pyridinium Chlorochromate Solvents: Dichloromethane; 4 H,Rt
标题:Novel Chelating Phosphonite Ligands: Syntheses,Structures,And Nickel-Catalyzed Hydrocyanation Of Olefins
作者:Goethlich,Alexander P. V.; Et Al
参考文献:Organometallics 日期:2008 卷标:27(10) 页码:2189-2200]

615-41-8 = 91393-49-6
反应条件:1.1 Reagents: Cesium Carbonate Catalysts: Tris(Dibenzylideneacetone)Dipalladium,1,1′-(9,9-Dimethyl-9H-Xanthene-4,5-Diyl)Bis[1,1-Diphenylphosphine] Solvents: 1,4-Dioxane; 20 H,100 °C
标题:Palladium-Catalyzed Intramolecular O-Arylation Of Enolates: Application To Benzo[b]Furan Synthesis
作者:Willis,Michael C.; Et Al
参考文献:Organic Letters 日期:2004 卷标:6(25) 页码:4755-4757]

27126-76-7 = 91393-49-6
反应条件:1.1 Solvents: Acetonitrile; 15 - 45 Min,50 °C2.1 Reagents: Triethylamine Catalysts: D-Tartaric Acid Solvents: Mesitylene; 24 H,110 °C
标题:Transition Metal-Free Synthesis Of α-Aryl Ketones Via Oxyallyl Cation Capture With Arylboronic Acids
作者:Huang,Wei-Hua; Et Al
参考文献:Organic Chemistry Frontiers 日期:2020 卷标:7(17) 页码:2480-2485]

694-80-4 = 91393-49-6
反应条件:1.1 Reagents: Butyllithium Solvents: Diethyl Ether,Tetrahydrofuran; -110 °C; 45 Min,-110 °C1.2 Reagents: Boron Trifluoride Etherate; -110 °C; 1 H,-110 °C; -110 °C -> 0 °C1.3 Reagents: Ammonium Chloride Solvents: Water2.1 Reagents: Pyridinium Chlorochromate Solvents: Dichloromethane; 4 H,Rt
标题:Novel Chelating Phosphonite Ligands: Syntheses,Structures,And Nickel-Catalyzed Hydrocyanation Of Olefins
作者:Goethlich,Alexander P. V.; Et Al
参考文献:Organometallics 日期:2008 卷标:27(10) 页码:2189-2200]

= 91393-49-6 + 1709851-28-4
反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid; 5 H,-20 °C
标题:Asymmetric Synthesis Of (S)- And (R)-Norketamine Via Sharpless Asymmetric Dihydroxylation/ritter Amination Sequence
作者:Biermann,Manfred; Et Al
参考文献:Tetrahedron Letters 日期:2015 卷标:56(20) 页码:2608-2610]

845507-74-6 = 91393-49-6 + 1709851-28-4
反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid,Sulfuric Acid; 6 H,25 °C
标题:Asymmetric Synthesis Of (S)- And (R)-Norketamine Via Sharpless Asymmetric Dihydroxylation/ritter Amination Sequence
作者:Biermann,Manfred; Et Al
参考文献:Tetrahedron Letters 日期:2015 卷标:56(20) 页码:2608-2610]

694-80-4 = 91393-49-6 + 1709851-28-4
反应条件:1.1 Reagents: Magnesium,Iodine Solvents: Diethyl Ether1.2 Solvents: Diethyl Ether1.3 Reagents: Ammonium Chloride2.1 Reagents: P-Toluenesulfonic Acid Solvents: Toluene; Reflux3.1 Reagents: Methanesulfonamide,Potassium Ferricyanide Catalysts: Osmium Tetroxide,(Dhq)2Phal4.1 Reagents: Trifluoromethanesulfonic Acid; 5 H,-20 °C
标题:Asymmetric Synthesis Of (S)- And (R)-Norketamine Via Sharpless Asymmetric Dihydroxylation/ritter Amination Sequence
作者:Biermann,Manfred; Et Al
参考文献:Tetrahedron Letters 日期:2015 卷标:56(20) 页码:2608-2610

2-溴氯苯置于叔丁基锂,戴斯-马丁氧化剂体系中,用四氢呋喃,二氯甲烷作为反应溶剂,化学反应 5.0H,反应生成 2-(2-氯苯基)环己酮
参考文献:一种合成氯胺酮的中间体化合物以及氯胺酮的合成方法
标题:一种合成氯胺酮的中间体化合物以及氯胺酮的合成方法
摘要:本发明公开一种合成氯胺酮的中间体化合物,其具有如下化学结构式:通过包括如下步骤:(I)邻溴氯苯与烷基锂反应得到邻氯苯基锂;(II)在路易斯酸的作用下,邻氯苯基锂与氧化环己烯反应得到.该中间体化合物可经过氧化,硝化,硝基还原,胺甲基化反应生成氯胺酮.与现有氯胺酮的合成方法相比,本发明路线简单,成本低廉,操作方便.

海关参考信息

2902600000-乙苯
2902700000-异丙基苯
2903919090-氯苯
2912110000-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

专利信息

专利号:US-2023192594-A1
优先权日:2016-03-25
标题 :Crystal forms and methods of synthesis of (2r, 6r)-hydroxynorketamine and (2s, 6s)-hydroxynorketamine

专利号:US-11186539-B2
优先权日:2018-06-04
标题:Process for synthesis and purification of (2R,6R)-hydroxynorketamine
发明人：THOMAS CRAIG J; MORRIS PATRICK JOSEPH; CASTLEDINE RICHARD ANDREW; BOURNE SAMUEL LAWRENCE
权利人:US HEALTH
摘要:A process for the preparation of (2R,6R)-hydroxynorketamine is provided. The process requires no chromatography purification and affords the (2R,6R)-hydroxynorketamine in eight steps with a 26% overall yield and greater than 97% purity.

专利号:WO-2017165878-A1
优先权日:2016-03-25
标题:Crystal forms and methods of synthesis of (2r, 6r)-hydroxynorketamine and (2s, 6s)-hydroxynorketamine

专利号:EP-3802480-B1
优先权日:2018-06-04
标题:Process for synthesis and purification of (2r,6r)-hydroxynorketamine

专利号:CN-109311801-A
优先权日:2016-03-25
标题 :Crystal forms and synthesis methods of (2R,6R) -hydroxynorketamine and (2S,6S) -hydroxynorketamine

专利号:CN-113527130-B
优先权日:2021-05-22
标题:Synthesis method of alpha-amide, alpha-aryl quaternary carboketone compound

其他信息查阅

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合成参考文献

参考文献:10.1055/s-0037-1609935
摘要:Jose J, Dimitrov I, Denny W. Syntheses of Ketamine and Related Analogues: A Mini Review. Synthesis. 2018 Aug 20;50(21):4201–15. doi: 10.1055/s-0037-1609935.