CAS: 952-06-7; Deoxybenzoinoxime

• 英文名称Deoxybenzoinoxime
• 中文名称1,2-二苯基乙酮肟
• IUPAC名称(NZ)-N-(1,2-diphenylethylidene)hydroxylamine
• 其它别名2-苯乙酮肟; Nsc 135001; Nsc 36666; Ethanone, 1,2-Diphenyl-, Oxime
• CAS编号952-06-7
• MFCD编号:MFCD14581645
• EINECS号:811-357-4
• 分子式:C14H13NO
• 分子量:211.26
• 产品CID: 2004704
• 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: PWCUVRROUAKTLL-PFONDFGASA-N
• 1S/C14H13NO/c16-15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,16H,11H2…
• 计算化学: 氢键受体数2.0氢键供体数1可旋转键数3

物理性质

• 熔点98 °C
• 沸点375.4±21.0 °C at 760 mmHg
• 闪点238 °C
• 密度1.04±0.1 g/cm3 (20 °C 760 Torr)
• pKa:11.07±0.11(预测)
• PSA:32.59
• LogP:3.1076
• 蒸汽压2.65E-06 mmHg at 25 °C
• 外观形态白色固体
• 储存条件存放条件:室温,密封,干燥

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H335
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• 安全声明H303+H313+H333

上下游产品

合成工艺路线路线简述

• 451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Sodium Acetate,Hydroxyamine Hydrochloride Solvents: Ethanol; 4 - 24 H,80 °C
  标题:Engineering Iron Responses In Mammalian Cells By Signal-Induced Protein Proximity
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  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Sodium Acetate,Hydroxyamine Hydrochloride Solvents: Ethanol,Water; 2 H,Reflux
  标题:Coxib-Derived Conjugate Compounds And Methods Of Use Thereof
  参考文献:World Intellectual Property Organization]
  
  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Pyridine,Hydroxyamine Hydrochloride Solvents: Ethanol; 1 H,100 °C; 100 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
  标题:Isolation And Reactions Of Imidoyl Fluorides Generated From Oxime Using The Diethylaminosulfur Trifluoride/tetrahydrofuran (Dast-Thf) System
  作者:Lu,Yipu; Kasahara,Akitomo; Hyodo,Tadashi; Ohara,Kazuaki; Yamaguchi,Kentaro; Et Al
  参考文献:Organic Letters 日期:2023 卷标:25(19) 页码:3482-3486]
  
  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Sodium Acetate,Hydroxyamine Hydrochloride Solvents: Ethanol,Water; 1 H,Reflux; Reflux -> 40 °C
  标题:Synthesis Of Valdecoxib,A Cox-2 Inhibitor
  作者:Wang,Rui-Ting; Zhang,Di-Qun; Fu,Yan
  参考文献:Zhongguo Xinyao Zazhi 日期:2005 卷标:14(1) 页码:72-74]
  
  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Potassium Hydroxide,Hydroxyamine Hydrochloride Solvents: Ethanol; 6 H,Reflux
  标题:Preparation Of Isothiazole Derivatives Having Antipyretic,Analgesic And Antiphlogistic Activity
  参考文献:United States]
  
  501-65-5 = 952-06-7
  反应条件:1.1 Reagents: Hydroxylamine Solvents: 1,4-Dioxane,Water; 38 - 40 H,140 °C
  标题:Intermolecular Cope-Type Hydroamination Of Alkenes And Alkynes Using Hydroxylamines
  作者:Moran,Joseph; Gorelsky,Serge I.; Dimitrijevic,Elena; Lebrun,Marie-Eve; Bedard,Anne-Catherine; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2008 卷标:130(52) 页码:17893-17906]
  
  501-65-5 = 952-06-7
  反应条件:1.1 Reagents: Hydroxylamine Solvents: Isopropanol,Water; 38 - 40 H,140 °C
  标题:Intermolecular Cope-Type Hydroamination Of Alkenes And Alkynes
  作者:Beauchemin,Andre M.; Moran,Joseph; Lebrun,Marie-Eve; Seguin,Catherine; Dimitrijevic,Elena; Et Al
  参考文献:Angewandte Chemie 日期:2008 卷标:47(8) 页码:1410-1413]
  
  588-59-0 = 952-06-7
  反应条件:1.1 Reagents: Tert-Butyl Nitrite,Hydrogen,Sodium Borohydride Catalysts: Iron(Ii) Phthalocyanine Solvents: Ethanol; 3 H,10 Bar,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized,Rt
  标题:First Iron-Catalyzed Synthesis Of Oximes From Styrenes
  作者:Prateeptongkum,Saisuree; Jovel,Irina; Jackstell,Ralf; Vogl,Nadine; Weckbecker,Christoph; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2009 卷标:(15) 页码:1990-1992]
  
  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Sodium Acetate,Hydroxyamine Hydrochloride Solvents: Methanol; Rt; Rt -> 75 °C; 2 H,75 °C
  标题:Synthesis Of 2,3-Diaryl-2H-Azirines Via Cs2Co3-Mediated Cyclization Of Ketoxime Acetates
  作者:Zhao,Mi-Na; Guan,Zheng-Hui
  参考文献:Organic Syntheses 日期:2019 卷标:96 页码:66-87]
  
  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Hydroxyamine Hydrochloride,Sodium Acetate Trihydrate Solvents: Methanol,Water; 12 H,60 °C
  标题:Nitrimines As Reagents For Metal-Free Formal C(Sp2)-C(Sp2) Cross-Coupling Reactions
  作者:Angeles-Dunham,Veronica V.; Nickerson,David M.; Ray,Devin M.; Mattson,Anita E.
  参考文献:Angewandte Chemie 日期:2014 卷标:53(52) 页码:14538-14541]
  
  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Sodium Acetate,Hydroxyamine Hydrochloride Solvents: Ethanol; 2 H,90 °C
  标题:Copper(I)-Catalyzed Regioselective Tandem Cyanoalkylative Cyclization Of 1,5-Dienes With Cyclobutanone Oxime Esters
  作者:Wang,Panpan; Leng,Yuting; Wu,Yangjie
  参考文献:European Journal Of Organic Chemistry 日期:2022 卷标:2022(45)]
  
  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Sodium Acetate,Hydroxyamine Hydrochloride Solvents: Ethanol,Water; Rt -> 95 °C
  标题:Rhodium(Iii)-Catalyzed Asymmetric [4+1] Spiroannulations Of O-Pivaloyl Oximes With α-Diazo Compounds
  作者:Sun,Lincong; Liu,Bingxian; Zhao,Yanlian; Chang,Junbiao; Kong,Lingheng; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2021 卷标:57(67) 页码:8268-8271]
  
  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Sodium Acetate,Hydroxyamine Hydrochloride Solvents: Ethanol; 40 Min,Rt1.2 Solvents: Toluene; 18 H,Reflux
  标题:Synthesis Of Valdecoxib
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  参考文献:Zhongguo Xiandai Yingyong Yaoxue 日期:2009 卷标:26(6) 页码:465-466]
  
  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Triethylamine,Hydroxyamine Hydrochloride Solvents: Ethanol; Rt -> 75 °C; 4 H,70 - 75 °C; 75 °C -> 60 °C; 50 - 60 °C1.2 Reagents: Water; 30 Min
  标题:A Process Method For Preparing Parecoxib
  参考文献:China]
  
  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Sodium Acetate,Hydroxyamine Hydrochloride Solvents: Ethanol; 40 Min,Rt1.2 Solvents: Toluene; 18 H,Reflux; Reflux -> Rt1.3 Reagents: Water; Cooled
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  作者:Liu,Ming-Xing; Mi,Zhi-Yuan; Huang,Yuan-Jun; Guo,Nian-Chun
  参考文献:Hecheng Huaxue 日期:2008 卷标:16(3) 页码:356-357]
  
  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydroxyamine Hydrochloride Solvents: Isopropanol,Water
  标题:Two-Phase Preparation Of Oximes
  作者:Lozynski,Marek; Rusinska-Roszak,Danuta
  参考文献:Polish Journal Of Chemistry 日期:1986 卷标:60(4-6) 页码:625-9]
  
  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Pyridine,Hydroxyamine Hydrochloride Solvents: Ethanol,Water; 18 H,60 °C1.2 Reagents: Water
  标题:Catalytic Asymmetric Chlorination Of Isoxazolinones
  作者:Wannenmacher,Nick; Keim,Noah; Frey,Wolfgang; Peters,Rene
  参考文献:European Journal Of Organic Chemistry 日期:2022 卷标:2022(9)]
  
  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Pyridine,Hydroxyamine Hydrochloride Solvents: Ethanol; 18 H,60 °C1.2 Reagents: Water
  标题:Regioselective Catalytic Asymmetric C-Alkylation Of Isoxazolinones By A Base-Free Palladacycle-Catalyzed Direct 1,4-Addition
  作者:Hellmuth,Tina; Frey,Wolfgang; Peters,Rene
  参考文献:Angewandte Chemie 日期:2015 卷标:54(9) 页码:2788-2791]
  
  112292-45-2 = 952-06-7
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid1.2 -
  标题:Reaction Of β-Nitrostyrenes With Benzene Catalyzed By Trifluoromethanesulfonic Acid. Formation And Reaction Of N,N-Dihydroxyiminium-Benzyl Dications
  作者:Ohwada,Tomohiko; Ohta,Toshiharu; Shudo,Koichi
  参考文献:Tetrahedron 日期:1987 卷标:43(2) 页码:297-305]
  
  451-40-1 = 952-06-7
  反应条件:1.1 Reagents: Potassium Hydroxide,Hydroxyamine Hydrochloride Solvents: Ethanol,Water; 1 H,Reflux
  标题:Dioxime Oxalates; New Iminyl Radical Precursors For Syntheses Of N-Heterocycles
  作者:Portela-Cubillo,Fernando; Lymer,James; Scanlan,Eoin M.; Scott,Jackie S.; Walton,John C.
  参考文献:Tetrahedron 日期:2008 卷标:64(52) 页码:11908-11916

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