CAS: 91-02-1; Phenyl(Pyridin-2-yl)Methanone

该化合物是有机化合物,其特征为:在第二个位置用苯并硫基组取代了环,该化合物一般是黄色至褐色晶状固体,因其芳香特性而闻名;C12H9NO分子配方,表明碳,氢,氮和氧原子的存在;2-苯并苯丙里丁在乙醇和丙酮等有机溶剂中溶解,但在水中溶解性有限;该化合物在处理该化合物时,应注意明显的再活动,特别是乙酰碳基组的静电阻燃作用,因为它可能对健康造成风险,因此在有机合成中和作为协调化学的离子体经常使用.此外,2-苯并苯丙里丁在制药和农用化学剂领域具有应用性,因为其潜在的生物活动,在处理该化合物时应注意安全问题,因为其可能对健康造成风险.

英文名称Phenyl(Pyridin-2-yl)Methanone
中文名称2-苯甲酰吡啶
IUPAC名称phenyl(pyridin-2-yl)methanone
其它别名Benzoylpyridine; Phenyl(2-Pyridyl)Methanone; Phenyl(Pyridin-2-yl)Methanone (2-Benzoylpyridine); Phenyl-2-Pyridylketone; 2-Benzoylpyridine, >=
CAS编号91-02-1
MFCD编号:MFCD00006300
EINECS号:202-034-3
FDA UNII编号:IZ1TTI0X5O
分子式:C12H9NO
分子量:183.21
产品CID: 2448466
产品分类医药中间体 → 吡啶类化合物

相似结构搜索
产品信息参考;
InChIKey: GCSHUYKULREZSJ-UHFFFAOYSA-N
InChI=1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H…
计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数2.0

物理性质

熔点41-43 °C(文献)
沸点317 °C(文献)
闪点302 °F
密度1,556 g/cm3
pKa:2.90±0.10(预测)
PSA:29.96
LogP:2.3126
折射率1.588
蒸汽压0.000379 mmHg at 25 °C
溶解性Chloroform (Slightly), Methanol (Slightly)
外观形态无色至微黄色结晶块状物
储存条件惰性气氛,室温
产品应用该化合物是一种生化试剂.
性质描述熔点41-43°C,沸点317°C,密度1,556g/cm3,闪点302°F

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
严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
严重眼刺激类别2A
警示词Warning(警告)
危险描述H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
防范说明P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN编号NONH for all modes of transport
危险品标志Xi
风险等级Irritant
安全声明26-36
危险类别码36/37/38
WGK Germany3

欧盟法规

REACH注册ECHA物质C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

合成目标产物 2-Benzoylpyridine 主要起始原料 Pyridine And Benzyl Alcohol
98-80-6 + 109-04-6 = 91-02-1
反应条件:1.1 Reagents: Cesium Carbonate Catalysts: Palladium Diacetate,1H-Imidazolium,1,3-Bis(2,4,6-Trimethylphenyl)-,Chloride (1:1) Solvents: 1,4-Dioxane; 21 H,50 Bar,100 °C
标题:Palladium-N-Heterocyclic Carbene An Efficient Catalytic System For The Carbonylative Cross-Coupling Of Pyridine Halides With Boronic Acids
作者:Maerten,Eddy; Sauthier,Mathieu; Mortreux,Andre; Castanet,Yves
参考文献:Tetrahedron 日期:2007 卷标:63(3) 页码:682-689]

4789-06-4 = 91-02-1
反应条件:1.1 Reagents: Phosphorus Trichloride Solvents: Chloroform; 10 Min,0 °C; 1 H,80 °C1.2 Reagents: Sodium Hydroxide,Water Solvents: Water
标题:Copper-Catalyzed Aerobic Oxygenation Of Benzylpyridine N-Oxides And Subsequent Post-Functionalization
作者:Sterckx,Hans; Sambiagio,Carlo; Medran-Navarrete,Vincent; Maes,Bert U. W.
参考文献:Advanced Synthesis & Catalysis 日期:2017 卷标:359(18) 页码:3226-3236]

14159-57-0 = 91-02-1
反应条件:1.1 Reagents: Sodium Carbonate Catalysts: Tetrabutylammonium Chloride,Cupric Chloride,[2,2′-Biquinoline]-4,4′-Dicarboxylic Acid,Potassium Salt (1:2) Solvents: Water; 5 Min,Rt1.2 Reagents: Tert-Butyl Hydroperoxide Solvents: Water; 48 H,40 °C
标题:A New And Highly Efficient Water-Soluble Copper Complex For The Oxidation Of Secondary 1-Heteroaryl Alcohols By Tert-Butyl Hydroperoxide
作者:Boudreau,Josee; Doucette,Mike; Ajjou,Abdelaziz Nait
参考文献:Tetrahedron Letters 日期:2006 卷标:47(11) 页码:1695-1698]

14159-57-0 = 91-02-1
反应条件:1.1 Reagents: Phosphonium,Butyltriphenyl-,(T-4)-Chlorotrioxochromate(1-) Solvents: Acetonitrile; 10 Min,Reflux
标题:Efficient And Highly Selective Oxidation Of Primary And Secondary Alcohols By Butyltriphenylphosphonium Chlorochromate Under Non-Aqueous Conditions
作者:Hajipour,Abdol R.; Mallakpour,Shadpour E.; Malakoutikhah,Morteza
参考文献:Indian Journal Of Chemistry 日期:2003 卷标:(1) 页码:195-198]

101-82-6 = 91-02-1
反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Cobalt Iron Oxide (Cofe2O4) (Silica-Coated),[1,4-Benzenedicarboxylato(2-)-Ko1]Hydroxyiron (Silica-Coated Cobalt Ferrite-Supported) Solvents: Water; 3 H,Rt
标题:Synthesis Of Magnetically Separable Nanocatalyst Cofe2O4@sio2@mil-53(Fe) For Highly Efficient And Selective Oxidation Of Alcohols And Benzylic Compounds With Hydrogen Peroxide
作者:Tan,Jin; Liu,Xiao Bing; Chen,Wei Feng; Hu,Yu Lin
参考文献:Chemistryselect 日期:2019 卷标:4(29) 页码:8477-8481]

14159-57-0 = 91-02-1
反应条件:1.1 Reagents: Phosphonium,Triphenyl(Phenylmethyl)-,Peroxymonosulfate (1:1) Catalysts: Bismuth Trichloride Solvents: Acetonitrile
标题:Oxidation Of Alcohols With Benzyltriphenylphosphonium Peroxymonosulfate Under Non-Aqueous Conditions
作者:Hajipour,A. R.; Mallakpour,S. E.; Adibi,H.
参考文献:Phosphorus 日期:2000 卷标:167 页码:71-79]

97419-24-4 = 91-02-1
反应条件:1.1 Reagents: Phosphonium,Triphenyl(Phenylmethyl)-,Salt With Chromic Acid (H2Cr2O7) (2:1)
标题:Organic Reactions Under Solid-State Conditions
作者:Hajipour,Abdol R.; Mallakpour,Shadpour E.
参考文献:Molecular Crystals And Liquid Crystals Science And Technology 日期:2001 卷标:356 页码:371-387]

14159-57-0 = 91-02-1
反应条件:1.1 Reagents: Phosphonium,Triphenyl(Phenylmethyl)-,Salt With Chromic Acid (H2Cr2O7) (2:1)
标题:Solid-Phase Oxidation Of Organic Compounds With Benzyltriphenylphosphonium Dichromate
作者:Hajipour,A. R.; Mohammadpoor-Baltork,Iraj
参考文献:Phosphorus 日期:2000 卷标:164 页码:145-151]

14159-57-0 = 91-02-1
反应条件:1.1 Catalysts: Sodium Hydride,Dicarbonylchloro(η5-2,4-Cyclopentadien-1-Yl)Iron Solvents: Toluene; 20 H,Reflux
标题:Effective Dehydrogenation Of 2-Pyridylmethanol Derivatives Catalyzed By An Iron Complex
作者:Kamitani,Masahiro; Ito,Masaki; Itazaki,Masumi; Nakazawa,Hiroshi
参考文献:Chemical Communications (Cambridge 日期:2014 卷标:50(59) 页码:7941-7944]

5005-36-7 = 91-02-1
反应条件:1.1 Reagents: Sodium Hydroxide,Oxygen Catalysts: Benzyltriethylammonium Chloride Solvents: Toluene,Water
标题:A New Synthesis Of Aryl Hetaryl Ketones Via Srn1 Reactions Of Halogenated Heterocycles With Potassiophenylacetonitrile Followed By Phase-Transfer Catalyzed Decyanation
作者:Hermann,Christine K. F.; Sachdeva,Yesh P.; Wolfe,James F.
参考文献:Journal Of Heterocyclic Chemistry 日期:1987 卷标:24(4) 页码:1061-5]

101-82-6 = 91-02-1
反应条件:1.1 Reagents: Oxygen Catalysts: Malic Acid,Magnesium Manganese Oxide (Mg6Mno8) Solvents: Chlorobenzene; 2 H,80 °C
标题:Base-Assisted Aerobic C-H Oxidation Of Alkylarenes With A Murdochite-Type Oxide Mg6Mno8 Nanoparticle Catalyst
作者:Hayashi,Eri; Tamura,Takatoshi; Aihara,Takeshi; Kamata,Keigo; Hara,Michikazu
参考文献:Acs Applied Materials & Interfaces 日期:2022 卷标:14(5) 页码:6528-6537]

14159-57-0 = 91-02-1
反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: [bis(Nitrato-Ko,Ko′)Manganese]Deca-μ-Ethoxyoctaethoxytri-μ-Oxodi-μ4-Oxo[μ3-[2,3-... Solvents: Acetonitrile; 6 H,70 °C
标题:Metal-Directed Self-Assembly Of {ti8L2} Cluster-Based Coordination Polymers With Enhanced Photocatalytic Alcohol Oxidation Activity
作者:Han,Er-Meng; Yu,Wei-Dong; Yan,Jun; Yi,Xiao-Yi; Liu,Chao
参考文献:Inorganic Chemistry 日期:2022 卷标:61(2) 页码:923-930]

101-82-6 = 91-02-1
反应条件:1.1 Reagents: Oxygen Catalysts: Manganese Nickel Oxide Solvents: 1,2-Dichlorobenzene; 6 H,1 Atm,110 °C
标题:Aerobic Oxygenation Of Alkylarenes Over Ultrafine Transition-Metal-Containing Manganese-Based Oxides
作者:Nakai,Satoru; Uematsu,Tsubasa; Ogasawara,Yoshiyuki; Suzuki,Kosuke; Yamaguchi,Kazuya; Et Al
参考文献:Chemcatchem 日期:2018 卷标:10(5) 页码:1096-1106]

5029-67-4 + 65-85-0 = 91-02-1
反应条件:1.1 Solvents: Tetrahydrofuran; Rt1.2 Reagents: Bromo(1-Methylethyl)Magnesium; Rt; 15 Min,Rt1.3 Reagents: Magnesate(1-),Dichloro(1-Methylethyl)-,Lithium (1:1); 1 H,Rt
标题:A Nitrogen-Assisted One-Pot Heteroaryl Ketone Synthesis From Carboxylic Acids And Heteroaryl Halides
作者:Demkiw,Krystyna; Araki,Hirofumi; Elliott,Eric L.; Franklin,Christopher L.; Fukuzumi,Yoonjoo; Et Al
参考文献:Journal Of Organic Chemistry 日期:2016 卷标:81(8) 页码:3447-3456]

14159-57-0 = 91-02-1
反应条件:1.1 Reagents: Oxygen Catalysts: Cobalt Diacetate Solvents: 1,4-Dioxane; 2.5 H,50 °C
标题:Isolation And Characterization Of A Trinuclear Cobalt Complex Containing Trigonal-Prismatic Cobalt In Secondary Alcohol Aerobic Oxidation
作者:Karthikeyan,I.; Alamsetti,S. K.; Sekar,G.
参考文献:Organometallics 日期:2014 卷标:33(7) 页码:1665-1671]

101-82-6 = 91-02-1
反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: Pyridine,Iodine Solvents: Water; Rt; Overnight,80 °C
标题:A Metal-Free Catalytic System For The Oxidation Of Benzylic Methylenes And Primary Amines Under Solvent-Free Conditions
作者:Zhang,Jintang; Wang,Zhentao; Wang,Ye; Wan,Changfeng; Zheng,Xiaoqi; Et Al
参考文献:Green Chemistry 日期:2009 卷标:11(12) 页码:1973-1978]

14159-57-0 = 91-02-1
反应条件:1.1 Reagents: Oxygen Catalysts: Cesium Hydroxide Solvents: Toluene; 24 H,110 °C
标题:Cesium Hydroxide-Promoted Aerobic Oxidation Of Sec-Aromatic Alcohols
作者:Zhang,Weiwei; Liu,Miaochang; Wu,Huayue; Ding,Jinchang; Cheng,Jiang
参考文献:Tetrahedron Letters 日期:2008 卷标:49(36) 页码:5336-5338]

14159-57-0 = 91-02-1
反应条件:1.1 Reagents: Triethylamine,N-Chloro-N-(Phenylsulfonyl)Benzenesulfonamide Catalysts: Divinylbenzene-Styrene Copolymer (Reaction Products With Tempo),Piperidinium,2,2,6,6-Tetramethyl-1-Oxo-,Chloride (1:1) (Reaction Products With Styrene-Divinylbenzene Copolymer) Solvents: Chloroform; 2 Min,20 - 25 °C1.2 Reagents: N-Chloro-N-(Phenylsulfonyl)Benzenesulfonamide; 10 Min,20 - 25 °C
标题:Rapid,Chemoselective And Mild Oxidation Protocol For Alcohols And Ethers With Recyclable N-Chloro-N-(Phenylsulfonyl)Benzenesulfonamide
作者:Palav,Amey; Misal,Balu; Ganwir,Prerna; Badani,Purav; Chaturbhuj,Ganesh
参考文献:Tetrahedron Letters 日期:2021 卷标:73]

14159-57-0 = 91-02-1
反应条件:1.1 Reagents: Phosphonium,Triphenyl(Phenylmethyl)-,(T-4)-Chlorotrioxochromate(1-) (1:1) Solvents: Acetonitrile
标题:Benzyltriphenylphosphonium Chlorochromate: A Mild And Novel Reagent For Oxidation Of Benzylic And Allylic Alcohols Under Non-Aqueous And Aprotic Conditions Or Microwave Conditions
作者:Hajipour,A. R.; Mallakpour,S. E.; Backnejad,H.
参考文献:Synthetic Communications 日期:2000 卷标:30(21) 页码:3855-3864

α-Chlorobenzyl Benzoate置于sodium Hexamethyldisilazane体系中,用四氢呋喃,二氯甲烷作为反应溶剂,化学反应 79.0H,反应生成 2-苯甲酰吡啶
参考文献:Anders,Ernst; Boldt,Hans Guenter; Clark,Timothy,Chemische Berichte,1986,Vol. 119,# 1,P. 279-296
标题:Anders,Ernst; Boldt,Hans Guenter; Clark,Timothy,Chemische Berichte,1986,Vol. 119,# 1,P. 279-296

海关参考信息

2912110000-甲醛
2912210000-苯甲醛
2933310010-吡啶
2914190090-其他无环酮
💡 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-10865390-B2
优先权日:2018-02-12
标题 :Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohols
发明人：NI YE; ZHOU JIEYU; XU GUOCHAO; WANG YUE
权利人:UNIV JIANGNAN
摘要:The present disclosure discloses an alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohols, and belongs to the technical field of bioengineering. The alcohol dehydrogenase mutant of the present disclosure has excellent catalytic activity and stereoselectivity, and may efficiently catalyze the preparation of a series of chiral diaryl alcohols in R- and S-configurations. By coupling alcohol dehydrogenase of the present disclosure to glucose dehydrogenase or formate dehydrogenase, the synthesis of chiral diaryl alcohol intermediates of various antihistamines may be achieved. Compared with the prior art, a method for preparing diaryl chiral alcohols through asymmetric catalytic reduction using the alcohol dehydrogenase of the present disclosure has the advantages of simple and convenient operation, high substrate concentration, complete reaction and high product purity, and has great industrial application prospects.

专利号:US-10822593-B2
优先权日:2018-02-12
标题:Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohols
发明人：NI YE; ZHOU JIEYU; XU GUOCHAO; WANG YUE
权利人:UNIV JIANGNAN
摘要:The present disclosure discloses an alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohols, and belongs to the technical field of bioengineering. The alcohol dehydrogenase mutant of the present disclosure has excellent catalytic activity and stereoselectivity, and may efficiently catalyze the preparation of a series of chiral diaryl alcohols in R- and S-configurations. By coupling alcohol dehydrogenase of the present disclosure to glucose dehydrogenase or formate dehydrogenase, the synthesis of chiral diaryl alcohol intermediates of various antihistamines may be achieved. Compared with the prior art, a method for preparing diaryl chiral alcohols through asymmetric catalytic reduction using the alcohol dehydrogenase of the present disclosure has the advantages of simple and convenient operation, high substrate concentration, complete reaction and high product purity, and has great industrial application prospects.

专利号:US-11078465-B2
优先权日:2018-02-12
标题:Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohols
发明人：NI YE; WANG YUE; DAI WEI; XU GUOCHAO; ZHOU JIEYU
权利人:UNIV JIANGNAN
摘要:The present disclosure discloses an alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohols, and belongs to the technical field of bioengineering. The alcohol dehydrogenase mutant of the present disclosure has excellent catalytic activity and stereoselectivity, and may efficiently catalyze the preparation of a series of chiral diaryl alcohols in R- and S-configurations. By coupling alcohol dehydrogenase of the present disclosure to glucose dehydrogenase or formate dehydrogenase, the synthesis of chiral diaryl alcohol intermediates of various antihistamines may be achieved. Compared with the prior art, a method for preparing diaryl chiral alcohols through asymmetric catalytic reduction using the alcohol dehydrogenase of the present disclosure has the advantages of simple and convenient operation, high substrate concentration, complete reaction and high product purity, and has great industrial application prospects.

专利号:US-5002641-A
优先权日:1990-06-28
标题:Electrochemical synthesis of niacin and other N-heterocyclic compounds
发明人：TOOMEY JR JOSEPH E
权利人:REILLY IND INC
摘要:An electrochemical oxidation of a pi-deficient N-heterocyclic precursor compound having an oxidizable organic group attached by a carbon-to-carbon linkage. This precursor compound is at least sparingly water soluble. The preferred electro-oxidation is conducted at an effective anode and in a medium which consists essentially of water, carboxylic acid, and the precursor compound. Preferred are electro-oxidations of substituted pyridine and quinoline bases and a particularly preferred aspect provides a convenient electrochemical synthesis of niacin from 3-methylpyridine.

专利号:WO-9856796-A1
优先权日:1997-06-09
标题 :Delivery and scavenging agents for combinatorial synthesis
发明人：BOUSSIE THOMAS; HALL KEITH A; LAPOINTE ANNE M; MURPHY VINCE; POWERS TIMOTHY; BEEK JOHANNES A M VAN
权利人:SYMYX TECHNOLOGIES INC
摘要:Delivery and scavenging agents are provided for the combinatorial synthesis of organometallic compounds in a solution or suspension, where the agents are constructed from a solid support allowing for easy separation of unreacted reagents or unwanted materials from a synthesis reaction. Use of these solid supported agents also allows otherwise unfavorable reactions to be driven to completion by the use of large excesses of reactants and minimizes the chances for competing bimolecular side reactions in parallel or rapid serial synthesis.

专利号:WO-0112791-A1
优先权日:1999-08-12
标题 :Dna shuffling of dioxygenase genes for production of industrial chemicals
发明人：SELIFONOV SERGEY A; NEWMAN LISA M
权利人:MAXYGEN INC; SELIFONOV SERGEY A; NEWMAN LISA M
摘要:This invention provides improved polypeptides, including dioxygenases, dehydrogenases, ligases and transferases that are useful for the biocatalytic synthesis of compounds such as Î±-hydroxycarboxylic acids, and aryl- and alkyl-hydroxy and carboxylic acid compounds. The polypeptides provided herein are improved in properties such as regioselectivity, enzymatic activity, stereospecificity, and the like. Methods for obtaining recombinant polynucleotides that encode these improved polypeptides are also provided, as are organisms that express the polypeptides and are thus useful for carrying out said biocatalytic syntheses. Also provided by the invention are methods for increasing said solvent resistance of organisms that are used in the synthetic methods.