CAS: 939-52-6; 4-Chlorobutyrophenone

该化合物是一种氯化芳香酮,配有分子式C10H11ClO.该化合物是有机合成的多用途中间体,特别是在生产药品,农用化学品和特殊化学品方面.其活性氯和碳基功能组能够高效衍生,使其对构建复杂的分子框架具有价值.苯丁酮骨干有助于稳定,同时允许选择性修改.该化合物适用于核脑类替代或凝聚等受控反应,通常用于需要精确功能组变的研究和工业应用.建议适当处理,因为其具有反应性和潜在刺激性.

英文名称4-Chlorobutyrophenone
中文名称4-氯-1-苯基丁-1-酮
IUPAC名称4-chloro-1-phenylbutan-1-one
其它别名4-氯-1-苯基-1-丁酮; 4-Chlorobutyrophenone
CAS编号939-52-6
MFCD编号:MFCD00001005
EINECS号:213-362-1
FDA UNII编号:QR9PK9JWG3
分子式:C10H11ClO
分子量:182.65
产品CID: 1983436
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: GHEFQKHLHFXSBR-UHFFFAOYSA-N
InChI=1S/C10H11ClO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2…
计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数4.0

MSDS等安全信息

GHS符号GHS07
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2A
警示词Warning
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
UN编号UN 2927 6.1/PG 1
危险品标志Xi
安全声明23-24/25
WGK Germany3

欧盟法规

C&L通报REACH预注册

上下游产品

4-Chlorobutyronitrile diethyl ether benzoyl chloride cyclopropane4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one p-tolyl-piperidino)-1-phenyl-butan-1-one4-(4-hydroxy-4-p-tolyl-piperidino)-1-phenyl-butan-1-one 542SGT542 VUF 5666

合成工艺路线路线简述

935-64-8 = 939-52-6
反应条件:1.1 Reagents: Acetic Acid,Magnesium Chloride,Lithium Perchlorate Catalysts: Manganese Dichloride Solvents: Acetonitrile; 3 H,25 °C; 30 Min,25 °C
标题:Manganese-Catalyzed Electrochemical Deconstructive Chlorination Of Cycloalkanols Via Alkoxy Radicals
作者:Allen,Benjamin D. W.; Hareram,Mishra Deepak; Seastram,Alex C.; Mcbride,Tom; Wirth,Thomas; Et Al
参考文献:Organic Letters 日期:2019 卷标:21(22) 页码:9241-9246]

409334-96-9 = 939-52-6
反应条件:1.1 Reagents: P-Toluenesulfonic Acid1.2 Reagents: Piperidine1.3 Reagents: Dowex 50W
标题:Dendritic Aliphatic Polyethers As High-Loading Soluble Supports For Carbonyl Compounds And Parallel Membrane Separation Techniques
作者:Haag,Rainer; Sunder,Alexander; Hebel,Andre; Roller,Sebastian
参考文献:Journal Of Combinatorial Chemistry 日期:2002 卷标:4(2) 页码:112-119]

4635-59-0 = 939-52-6
反应条件:1.1 Solvents: Benzene
标题:Synthesis Of Some 2-Phenylpyrrole Derivatives
作者:Apsimon,John W.; Durham,David G.; Rees,Alun H.
参考文献:Journal Of The Chemical Society 日期:1978 卷标:(12) 页码:1588-94]

= 939-52-6
反应条件:1.1 Reagents: Aluminum Chloride Solvents: Benzene; Cooled; 1 H,5 °C; 30 Min,5 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Cooled
标题:Synthesis Of 1-Phenylbut-3-Ene-1,2-Dione And Its Attempted Radical Polymerization
作者:Husar,Branislav; Lukac,Ivan; Chmela,Stefan; Canet,Jean-Louis; Troin,Yves
参考文献:Chemical Papers 日期:2010 卷标:64(4) 页码:499-503]

935-64-8 = 939-52-6
反应条件:1.1 Reagents: Tert-Butyl Hypochlorite Catalysts: 1,10-Phenanthroline,Silver Triflate Solvents: Acetonitrile; 6 H,Rt
标题:Regioselective Synthesis Of Carbonyl-Containing Alkyl Chlorides Via Silver-Catalyzed Ring-Opening Chlorination Of Cycloalkanols
作者:Huang,Feng-Qing; Xie,Jian; Sun,Jian-Guo; Wang,Yue-Wei; Dong,Xin; Et Al
参考文献:Organic Letters 日期:2016 卷标:18(4) 页码:684-687]

935-64-8 = 939-52-6
反应条件:1.1 Reagents: Chlorotrimethylsilane,Manganese Dichloride,1-Hydroxy-1,2-Benziodoxol-3(1H)-One 1-Oxide Solvents: Acetonitrile; 6 H,50 °C
标题:Method For Synthesis Of γ-Chlorobutanone Derivative
参考文献:China]

4830-93-7 = 939-52-6
反应条件:1.1 Reagents: Oxygen Catalysts: Pyridinium,1-(4-Sulfobutyl)-,1,1,1-Trifluoromethanesulfonate (1:1) Solvents: Acetonitrile; 6 H,1 Atm,20 °C
标题:Bronsted Acid-Catalysed Aerobic Photo-Oxygenation Of Benzylic C-H Bonds
作者:Wu,Jieqing; Chen,Jiwei; Wang,Lei; Zhu,Hongjun; Liu,Rui; Et Al
参考文献:Green Chemistry 日期:2023 卷标:25(3) 页码:940-945]

189619-49-6 = 939-52-6 [标题:Reaction Conditions
标题:Ethyl Mandelate As A Convenient New Benzoyl Anion Equivalent
作者:Aitken,R. Alan; Thomas,Andrew W.
参考文献:Synlett 日期:1997 卷标:(3) 页码:293-294]

33553-82-1 = 939-52-6
反应条件:1.1 Reagents: Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Catalysts: Potassium Bromide Solvents: Acetonitrile,Water; 6 H,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water
标题:Selective Oxidation Of Alcohols With Alkali Metal Bromides As Bromide Catalysts: Experimental Study Of The Reaction Mechanism
作者:Moriyama,Katsuhiko; Takemura,Misato; Togo,Hideo
参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(13) 页码:6094-6104]

935-64-8 = 939-52-6
反应条件:1.1 Reagents: Acetic Acid,Magnesium Chloride,Lithium Perchlorate Catalysts: Methanesulfonic Acid,1,1,1-Trifluoro-,Manganese(2+) Salt (2:1) Solvents: Acetonitrile; 1 Min,20 - 25 °C; 3 H,25 °C; 30 Min,25 °C
标题:Manganese-Catalyzed Electrochemical Deconstructive Chlorination Of Cycloalkanols Via Alkoxy Radicals
作者:Allen,Benjamin D. W.; Hareram,Mishra Deepak; Seastram,Alex C.; Mcbride,Tom; Wirth,Thomas; Et Al
参考文献:Chemrxiv 日期:2019 卷标:1 页码:1-6]

4830-93-7 = 939-52-6
反应条件:1.1 Reagents: Potassium Bromide,Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Solvents: Dichloromethane,Water; 24 H,Rt1.2 Reagents: Sodium Sulfite Solvents: Water; Rt
标题:Direct And Selective Benzylic Oxidation Of Alkylarenes Via C-H Abstraction Using Alkali Metal Bromides
作者:Moriyama,Katsuhiko; Takemura,Misato; Togo,Hideo
参考文献:Organic Letters 日期:2012 卷标:14(9) 页码:2414-2417]

603-33-8 + 4635-59-0 = 939-52-6
反应条件:1.1 Reagents: Triethylamine Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: 1,4-Dioxane; 3 H,80 °C
标题:Atom-Efficient Cross-Coupling Reactions Of Triarylbismuths With Acyl Chlorides Under Pd(0) Catalysis
作者:Rao,Maddali L. N.; Venkatesh,Varadhachari; Banerjee,Debasis
参考文献:Tetrahedron 日期:2007 卷标:63(52) 页码:12917-12926]

935-64-8 = 939-52-6
反应条件:1.1 Reagents: Chlorotrimethylsilane,2-Iodoxybenzoic Acid Catalysts: Manganese Dichloride Solvents: Acetonitrile; 4 H,50 °C
标题:Manganese-Catalyzed Ring-Opening Chlorination Of Cyclobutanols: Regiospecific Synthesis Of γ-Chloroketones
作者:Huan,Leitao; Zhu,Chen
参考文献:Organic Chemistry Frontiers 日期:2016 卷标:3(11) 页码:1467-1471]

4635-59-0 = 939-52-6
反应条件:1.1 Reagents: Aluminum Chloride Solvents: Benzene; 1 H,0 °C; 1 H,20 °C1.2 Reagents: Water; Cooled
标题:Polymethylene Derivatives Of Nucleic Bases With ω-Functional Groups: V. Pyrimidine- And Purine-Containing γ-Butyrophenones
作者:Kritzyn,A. M.; Komissarov,V. V.
参考文献:Russian Journal Of Bioorganic Chemistry 日期:2005 卷标:31(6) 页码:549-555]

64214-66-0 = 939-52-6
反应条件:1.1 Solvents: Tetrahydrofuran; 0 °C
标题:Pyrazole-Based Sulfonamide And Sulfamides As Potent Inhibitors Of Mammalian 15-Lipoxygenase
作者:Ngu,Khehyong; Weinstein,David S.; Liu,Wen; Langevine,Charles; Combs,Donald W.; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2011 卷标:21(14) 页码:4141-4145]

25438-37-3 = 939-52-6
反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran
标题:Addition And Substitution Reactions Of Nitrile-Stabilized Carbanions
作者:Arseniyadis,Simeon; Kyler,Keith S.; Watt,David S.
参考文献:Organic Reactions (Hoboken 日期:1984 卷标:31]

4635-59-0 = 939-52-6
反应条件:1.1 Reagents: Aluminum Chloride Solvents: Benzene
标题:An Improved Synthesis Of Cyclopropyl Phenyl Ketone And Related Substances
作者:Close,W. J.
参考文献:Journal Of The American Chemical Society 日期:1957 卷标:79 页码:1455-8]

4635-59-0 = 939-52-6
反应条件:1.1 Reagents: Aluminum Chloride
标题:Synthesis Of Some Compounds Derived From ω-Chlorobutyrophenones
作者:Schliemann,W.; Buege,A.; Reppel,L.
参考文献:Pharmazie 日期:1980 卷标:35(3) 页码:140-3]

935-64-8 = 939-52-6
反应条件:1.1 Reagents: Chlorosuccinimide,Potassium Persulfate Catalysts: Silver Nitrate Solvents: 1,2-Dichloroethane,Water; 5 H,25 °C
标题:Regiospecific Synthesis Of Distally Chlorinated Ketones Via C-C Bond Cleavage Of Cycloalkanols
作者:Fan,Xuefeng; Zhao,Huijun; Yu,Jiajia; Bao,Xiaoguang; Zhu,Chen
参考文献:Organic Chemistry Frontiers 日期:2016 卷标:3(2) 页码:227-232]

575431-75-3 = 939-52-6
反应条件:1.1 Reagents: Phosphonium,2-Cyclohexene-1,4-Diylbis[triphenyl-,Salt With Peroxydisulfuric Ac... Solvents: Acetonitrile,Water; Rt -> Reflux; 25 Min,Reflux; 5 Min,Reflux
标题:Selective Oxidation Of Benzylic Substrates To Their Corresponding Carbonyl Compounds With 3,6-Bis(Triphenylphosphonio)Cyclohexene Peroxodisulfate
作者:Badri,Rashid; Soleymani,Mousa
参考文献:Synthetic Communications 日期:2003 卷标:33(8) 页码:1325-1332

苯基环丙基甲酮置于盐酸体系中,化学反应生成 4-氯苯丁酮
参考文献:Scope,Limitations,And Mechanism Of The Homoconjugate Electrophilic Addition Of Hydrogen Halides
标题:Scope,Limitations,And Mechanism Of The Homoconjugate Electrophilic Addition Of Hydrogen Halides
摘要:
DOI:10.1021/jo00208A027

海关参考信息

2902600000-乙苯
2912110000-甲醛
2912120000-乙醛
2912210000-苯甲醛
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专利信息

专利号:US-2012302756-A1
优先权日:2010-02-19
标题 :Process for synthesis of 2-substituted pyrrolidines and piperadines
发明人：LELETI RAJENDER REDDY; LIU YUGANG; PRASHAD MAHAVIR
权利人:LELETI RAJENDER REDDY; LIU YUGANG; PRASHAD MAHAVIR
摘要:The present invention provides a highly efficient, versatile one-step process for asymmetric synthesis of either diastereomer of 2-substituted pyrrolidines from a single starting material with excellent yields and high diastereoselectivety. Also provided is a method for the asymmetric synthesis of both diastereomers of 2-substituted piperidines with good yields and excellent diastereoselectivety. Diasteroselectivity is controlled effectively by choice of reducing agent.

专利号:US-8067460-B2
优先权日:2004-10-04
标题 :5-phenoxyalkoxypsoralens and methods for selective inhibition of the voltage gated Kv1.3 potassium channel
发明人：WULFF HEIKE; SANKARANARAYANAN ANANTHAKRISHNAN; HAENSEL WOLFRAM; SCHMITZ ALEXANDER; SCHMIDT-LASSEN KRISTINA
权利人:WULFF HEIKE; SANKARANARAYANAN ANANTHAKRISHNAN; HAENSEL WOLFRAM; SCHMITZ ALEXANDER; SCHMIDT-LASSEN KRISTINA; UNIV CALIFONIA
摘要:Compositions of matter comprising 5-phenoxyalkoxypsoralen compounds and their method of synthesis and use. The compounds are useable to treat diseases or disorders in human or animal subjects, including autoimmune diseases. The compounds inhibit potassium channels, including the Kv1.3 channel and at least some of the therapeutic effects of such compounds may be due at least in part to potassium channel inhibition. In some embodiments, the compounds are more selective for certain potassium channels (e.g., Kv1.3 channels) than other potassium channels (e.g., Kv1.5 channels).

专利号:US-9156840-B2
优先权日:2010-06-18
标题:D2 antagonists, methods of synthesis and methods of use
发明人：LUEHR GARY W; SUNDARAM ARATHI; JAISHANKAR PRIYADARSHINI; PAYNE PHILIP W; DRUZGALA PASCAL
权利人:ALTOS THERAPEUTICS LLC
摘要:Provided are D 2 or D 3 antagonist compounds and pharmaceutical compositions of formula I n nand pharmaceutically acceptable salts thereof, or isomers thereof, wherein R 1 , R 2 and R 3 are as defined herein. The invention further comprises methods for making the compounds of the invention and methods for the treatment of conditions mediated by the dopamine D 2 or D 3 receptor from the compounds of the invention.

专利号:WO-2011103263-A2
优先权日:2010-02-19
标题:Process for synthesis of 2-substituted pyrrolidines and piperadines

专利号:EP-2536687-A2
优先权日:2010-02-19
标题 :Process for synthesis of 2-substituted pyrrolidines and piperadines

专利号:US-8691836-B2
优先权日:2010-06-18
标题 :D2 antagonists, methods of synthesis and methods of use

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主要参考文献

[参考文献]: William J Kerr, Et Al. In Situ Generation Of Mes2Mg As A Non-Nucleophilic Carbon-Centred Base Reagent For The Efficient One-Pot Conversion Of Ketones To Silyl Enol Ethers. Org Biomol Chem. 2008 Apr 7;6(7):1238-43.

合成参考文献

摘要:Lipshutz, B. H.; Ghorai, S., Science of Synthesis Knowledge Updates, (2014) 2, 178.
摘要:De Wildeman, S.; Sereinig, N., Science of Synthesis: Stereoselective Synthesis, (2011) 2, 160.
摘要:Uyanik, M.; Ishihara, K., Science of Synthesis: Catalytic Oxidation in Organic Synthesis, (2017) 1, 659.
摘要:García-Garrido, S. E.; Presa Soto, A.; García-Álvarez, J., Science of Synthesis: Knowledge Updates, (2025) 2.
摘要:Yang, Y.; Wang, C., Science of Synthesis: Base-Metal Catalysis, (2023) 2, 712.

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