CAS: 937-20-2; 2-Chloro-1-(4-Chlorophenyl)Ethanone

该化合物是一种有机化合物,其分子式为C8H6Cl2O,主要用作制药和农用化学合成的中间体,其主要优点包括:由于存在两个氯分体和一个碳基组,具有高度的回活动性,使其成为进一步化学改造的多功能构件;该化合物在标准储存条件下具有稳定性,在普通有机溶剂中可溶解,便于在各种反应中使用;其结构特征使得能够有效地合成六环化合物和精细化学品,特别是在生产活性药物成分和特殊农用化学品方面;由于可能具有刺激性,需要妥善处理.

英文名称2-Chloro-1-(4-Chlorophenyl)Ethanone
中文名称2-氯-1-(4-氯苯基)乙基-1-酮
IUPAC名称2-chloro-1-(4-chlorophenyl)ethan-1-one
其它别名4-氯苯酰甲基氯; 2,4'-Dichloroacetophenone
CAS编号937-20-2
MFCD编号:MFCD00018926
EINECS号:213-323-9
FDA UNII编号:ZXE9VA3E38
分子式:C8H6Cl2O
分子量:189.04
产品CID: 1977260
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: FWDFNLVLIXAOMX-UHFFFAOYSA-N
InChI=1S/C8H6Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2…
计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数2.0

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
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2
急性毒性类别3(经口)
水生慢性毒性类别3
严重眼损伤类别1
皮肤致敏类别1
警示词Warning(警告)
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.
H301 |吞咽会中毒.
H412 |对水生生物有害并具有长期持续影响.
H318 |造成严重眼损伤.
H317 |可能引起皮肤过敏反应.
防范说明P261-P272-P280-P302+P352-P362+P364-P501
危险等级9
UN编号3077.0
危险品标志Xi
包装等级Ⅲ
安全声明26-36-37/39
危险类别码36/37/38
WGK Germany3

欧盟法规

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

99-91-2 = 937-20-2
反应条件:1.1 Reagents: 1,3-Dichloro-5,5-Dimethylhydantoin Solvents: Methanol; 10 - 100 °C
标题:Process For Rapid Preparation Of α-Chloro-Ketones From Ketones And 1,3-Dichloro-5,5-Dimethylhydantoin By Chlorination
参考文献:China]

99-91-2 = 937-20-2
反应条件:1.1 Reagents: 1,3-Dichloro-5,5-Dimethylhydantoin Catalysts: Silica Solvents: Methanol; 1 H,Reflux; Reflux -> Rt
标题:Simple And Efficient Methods For Selective Preparation Of α-Mono Or α,α-Dichloro Ketones And β-Ketoesters By Using Dcdmh
作者:Chen,Zizhan; Zhou,Bin; Cai,Huihua; Zhu,Wei; Zou,Xinzhuo
参考文献:Green Chemistry 日期:2009 卷标:11(2) 页码:275-278]

99-91-2 = 937-20-2
反应条件:1.1 Reagents: Benzyltrimethylammonium Dichloroiodate Solvents: Methanol,1,2-Dichloroethane
标题:Oxidation Of Carbonyl Compounds With Organohypervalent Iodine Reagents
作者:Moriarty,Robert M.; Prakash,Om
参考文献:Organic Reactions (Hoboken 日期:1999 卷标:54]

99-91-2 = 937-20-2
反应条件:1.1 Reagents: Benzyltrimethylammonium Dichloroiodate Solvents: Methanol,1,2-Dichloroethane
标题:Halogenation Using Quaternary Ammonium Polyhalides. Part X. α-Chlorination Of Aromatic Acetyl Derivatives With Benzyltrimethylammonium Dichloroiodate
作者:Kajigaeshi,Shoji; Kakinami,Takaaki; Moriwaki,Masayuki; Fujisaki,Shizuo; Maeno,Kimihiro; Et Al
参考文献:Synthesis 日期:1988 卷标:(7) 页码:545-6]

99-91-2 = 937-20-2
反应条件:1.1 Catalysts: Ammonium Chloride Solvents: Tert-Butanol,Water; Rt1.2 Reagents: 1,3-Dichloro-5,5-Dimethylhydantoin; 50 °C; 3 H,50 °C
标题:Preparation Of α-Monochloro Ketone
参考文献:China]

79-04-9 = 937-20-2
反应条件:1.1 Reagents: Aluminum Chloride Solvents: Dichloromethane; 2 - 3 H,Rt
标题:Design,Synthesis And Evaluation Of Clinafloxacin Triazole Hybrids As A New Type Of Antibacterial And Antifungal Agents
作者:Wang,Yan; Damu,Guri L. V.; Lv,Jing-Song; Geng,Rong-Xia; Yang,Da-Cheng; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2012 卷标:22(17) 页码:5363-5366]

80-11-5 = 937-20-2
反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol,Water; Rt1.2 Reagents: Acetic Acid; Rt; 15 Min,Rt1.3 Solvents: Tetrahydrofuran; Rt; 80 Min,Rt1.4 Reagents: Acetic Acid; Rt
标题:Continuous Flow Generation And Reactions Of Anhydrous Diazomethane Using A Teflon Af-2400 Tube-In-Tube Reactor
作者:Mastronardi,Federica; Gutmann,Bernhard; Kappe,C. Oliver
参考文献:Organic Letters 日期:2013 卷标:15(21) 页码:5590-5593]

99-91-2 = 937-20-2
反应条件:1.1 Reagents: Carbamide Peroxide,Silicon Tetrachloride Solvents: Dichloromethane; 1.0 H,0 °C
标题:New,Efficient Synthesis Of α-Chloroketones Using Sicl4/urea-Hydrogen Peroxide Or Sicl4/iodosylbenzene Reagent Systems
作者:El-Ahl,Abdel Aziz S.; Elbeheery,Akram H.; Amer,Fathy A.
参考文献:Synthetic Communications 日期:2011 卷标:41(10) 页码:1508-1513]

80-11-5 = 937-20-2
反应条件:1.1 Reagents: Triethylamine,Perfluorohexane,Potassium Hydroxide Solvents: Ethanol,1,2-Dibromoethane,Tetrahydrofuran; 24 H,25 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 30 Min,25 °C
标题:Safe And Facile Evolution Of Diazomethane Using The Phase-Vanishing Method
作者:Kawabata,Toshiki; Matsubara,Hiroshi
参考文献:Tetrahedron Letters 日期:2023 卷标:123]

99-91-2 = 937-20-2
反应条件:1.1 Reagents: P-Toluenesulfonic Acid,1,3-Dichloro-5,5-Dimethylhydantoin Solvents: Methanol; 8 H,30 - 35 °C
标题:α-Chlorination Of Acetophenones Using 1,3-Dichloro-5,5-Dimethylhydantoin
作者:Xu,Zijin; Zhang,Deyan; Zou,Xinzhuo
参考文献:Synthetic Communications 日期:2006 卷标:36(2) 页码:255-258]

536-38-9 = 937-20-2
反应条件:1.1 Reagents: Benzenesulfonyl Chloride Catalysts: Benzyltriethylammonium Chloride Solvents: Water; 1.3 H,Rt; Cooled1.2 Reagents: Sodium Carbonate Solvents: Water; Cooled
标题:High-Yielding Aqueous Synthesis Of Chloroacetophenones And Aroyl Chlorohydrins
作者:Zhang,Xixi; Liu,Lei; Li,Chunbao
参考文献:Rsc Advances 日期:2016 卷标:6(30) 页码:25339-25345]

79-04-9 = 937-20-2
反应条件:1.1 Reagents: Aluminum Chloride Solvents: Carbon Disulfide; 4 H,15 °C
标题:Synthesis Of 2-Chloro-4'-Chloroacetophenone
作者:Guo,Yonghua; Wu,Jianping; Yang,Lirong
参考文献:Huaxue Fanying Gongcheng Yu Gongyi 日期:2004 卷标:20(4) 页码:380-384]

79-04-9 = 937-20-2
反应条件:1.1 Catalysts: Aluminum Chloride Solvents: Dichloromethane; Rt; 2 H,Rt1.2 Reagents: Water; Cooled
标题:Design And Synthesis Of Novel Miconazole-Based Ciprofloxacin Hybrids As Potential Antimicrobial Agents
作者:Gu,Xiao-Long; Liu,Hong-Bin; Jia,Qing-Hui; Li,Jie-Feng; Liu,Yan-Long
参考文献:Monatshefte Fuer Chemie 日期:2015 卷标:146(4) 页码:713-720]

33491-02-0 = 937-20-2
反应条件:1.1 Reagents: Water Catalysts: Methanesulfonic Acid,Iron Chloride (Fecl3) Solvents: 1,2-Dichloroethane; 80 °C
标题:Synthesis Of α-Chloromethyl Ketones By Iron-Catalyzed Hydration Reaction Of Alkynyl Chlorides
作者:Yi,Weiguo; Yan,Dong; Wu,Chao; Lan,Lixin
参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2014 卷标:35(12) 页码:2563-2566]

99-91-2 = 937-20-2
反应条件:1.1 Reagents: Trichloroisocyanuric Acid Catalysts: P-Toluenesulfonic Acid Solvents: Methanol,Water; 6 H,Rt
标题:Chlorination In A Reusable Water-Methanol System By Using Trichloroisocyanuric Acid
作者:Chen,Zi-Zhan; Wu,Yu-Feng; Guo,Jie; Fang,Chao; Wu,Fan-Hong
参考文献:Huaxue Shijie 日期:2013 卷标:54(1) 页码:26-29]

1073-67-2 = 937-20-2
反应条件:1.1 Reagents: Oxygen,Magnesium Chloride,Lithium Perchlorate Catalysts: Manganese Dichloride Solvents: Acetone,Dichloromethane; 12 H,40 °C
标题:The Mn-Catalyzed Paired Electrochemical Facile Oxychlorination Of Styrenes Via The Oxygen Reduction Reaction
作者:Tian,Siyu; Jia,Xiaofei; Wang,Ling; Li,Baoying; Liu,Siyuan; Et Al
参考文献:Chemical Communications (Cambridge 日期:2019 卷标:55(80) 页码:12104-12107]

33491-02-0 = 937-20-2
反应条件:1.1 Catalysts: 2114378-53-7 (Mcm-41 Supported) Solvents: 1,2-Dichloroethane,Water; 14 H,Rt
标题:An Efficient Heterogeneous Gold(I)-Catalyzed Hydration Of Haloalkynes Leading To α-Halomethyl Ketones
作者:Hu,Sifan; Liu,Dayi; Yan,Chenyu; Cai,Mingzhong
参考文献:Synthetic Communications 日期:2018 卷标:48(23) 页码:2983-2991]

5333-82-4 = 937-20-2
反应条件:1.1 Reagents: 2,2′-Bipyridine,Cuprous Chloride Solvents: 1,2-Dichloroethane; 3 H,Reflux
标题:Copper(I)-Promoted Synthesis Of Chloromethyl Ketones From Trichloromethyl Carbinols
作者:Ram,Ram N.; Manoj,T. P.
参考文献:Journal Of Organic Chemistry 日期:2008 卷标:73(14) 页码:5633-5635]

79-04-9 = 937-20-2
反应条件:1.1 Catalysts: Aluminum Chloride Solvents: Dichloromethane; 2 - 3 H,Rt
标题:Novel Carbazole-Triazole Conjugates As Dna-Targeting Membrane Active Potentiators Against Clinical Isolated Fungi
作者:Zhang,Yuan; Tangadanchu,Vijai Kumar Reddy; Bheemanaboina,Rammohan R. Yadav; Cheng,Yu; Zhou,Cheng-He
参考文献:European Journal Of Medicinal Chemistry 日期:2018 卷标:155 页码:579-589]

676486-15-0 = 937-20-2
反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran,1,4-Dioxane; 10 Min,Rt; 16 H,70 °C
标题:One-Carbon Chain Extension Of Esters To α-Chloroketones: A Safer Route Without Diazomethane
作者:Wang,Dengjin; Schwinden,Mark D.; Radesca,Lilian; Patel,Bharat; Kronenthal,David; Et Al
参考文献:Journal Of Organic Chemistry 日期:2004 卷标:69(5) 页码:1629-1633

对氯苯乙酮置于n-氯代丁二酰亚胺,对甲苯磺酸体系中,用乙腈作为反应溶剂,化学反应 6.0H,反应生成 2,4'-二氯苯乙酮
参考文献:铱催化卤代酮的不对称加氢以有效构建手性卤代醇
标题:铱催化卤代酮的不对称加氢以有效构建手性卤代醇
摘要:成功开发了铱催化的前手性卤代酮的不对称氢化反应,以制备各种在碱性反应条件下具有高反应性和出色的对映选择性的手性卤代醇(转化率> 99%,收率99%,Ee> 99%).此外,在仅有0.005 Mol%(s / C = 20 000)ir / F-Amphox催化剂存在下,克级实验性能非常好,产率为99%,Ee大于99%.
DOI:10.1002/adsc.201800267

海关参考信息

2902600000-乙苯
2903919090-氯苯
2912110000-甲醛
2912120000-乙醛
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专利信息

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-2022145179-A1
优先权日:2020-11-12
标题 :Synthesis of aryl 1-(methoxymethyl) vinyl ketones and their use as inhibitors of mild steel corrosion
发明人：MAZUMDER MOHAMMAD ABU JAFAR; ALI SHAIKH ASROF; ODEWUNMI NURUDEEN; ALHARBI BADER; ALJEABAN NORAH; CHEN TAO; BALHARTH SALEM
权利人:SAUDI ARABIAN OIL CO; UNIV KING FAHD PET & MINERALS
摘要:Methods for preparing alkenylphenone corrosion inhibiting compositions may include providing an arylacetone and reacting the arylacetone with formaldehyde in the presence of a strong base catalyst. Corrosion inhibiting compositions may include an alkenylphenone, which may be prepared by a method including providing an arylacetone and reacting the arylacetone with formaldehyde in the presence of a strong base catalyst. Methods of inhibiting corrosion of a steel surface of an oilfield equipment component may include contacting the steel surface with an aqueous solution comprising a corrosion inhibitor. The corrosion inhibitor may include a composition containing an alkenylphenone prepared by reacting an arylacetone with formaldehyde in the presence of a strong base catalyst.

专利号:US-3929840-A
优先权日:1972-07-14
标题 :Labile esters of ({31 )(cis-1,2-epoxypropyl)phosphonic
发明人：CHRISTENSEN BURTON G; LEANZA WILLIAM J; ALBERS-SCHONBERG GEORG
权利人:MERCK & CO INC
摘要:Labile esters of (-)(cis-1,2-epoxypropyl)phosphonic acid are prepared from the free acid or salts thereof by reaction with an alcohol or a hydrocarbyl halide. In addition to their utility as intermediates in the synthesis of antibacterially active salts of (-)(cis-1,2-epoxypropyl)phosphonic acid, those esters have significant antibacterial activity.

专利号:US-2021402380-A1
优先权日:2020-06-23
标题 :Perovskites for photocatalytic organic synthesis
发明人：YAN YONG
权利人:SAN DIEGO STATE UNIV FOUNDATION
摘要:Nature is capable of storing solar energy in chemical bonds via photosynthesis through a series of Câ€”C, Câ€”O and Câ€”N bond-forming reactions starting from CO 2 and light. Direct capture of solar energy for organic synthesis is a promising approach. Lead (Pb)-halide perovskite solar cells reach 24.2% power conversion efficiency, rendering perovskite a unique type material for solar energy capture. We show that photophysical properties of perovskites is useful in photoredox organic synthesis. Because the key aspects of these two applications are both relying on charge separation and transfer. Here we demonstrated that perovskites nanocrystals are exceptional candidates as photocatalysts for fundamental organic reactions, i.e. Câ€”C, Câ€”N and Câ€”O bond-formations. Stability of CsPbBr 3 in organic solvents and ease-of-tuning their bandedges garner perovskite a wider scope of organic substrate activations.

专利号:WO-2023086799-A1
优先权日:2021-11-09
标题:Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists
发明人：HOUZE JONATHAN B; PANDYA BHAUMIK; KAPLAN ALAN P
权利人:VIGIL NEUROSCIENCE INC
摘要:The present disclosure provides compounds of Formula I, useful for the activation of Triggering Receptor Expressed on Myeloid Cells 2 ('TREM2'). This disclosure also provides pharmaceutical compositions comprising the compounds, uses of the compounds, and compositions for treatment of, for example, a neurodegenerative disorder. Further, the disclosure provides intermediates useful in the synthesis of compounds of Formula I.

专利号:WO-9910310-A1
优先权日:1997-08-29
标题:Process for producing diphenylethers and esters
发明人：LOURENS GERHARDUS JOHANNES
权利人:DOW CHEMICAL CO
摘要:An improved synthesis of diphenylethers, and in particular, the bacteriostat 2,4,4'-trichloro-2'-hydroxydiphenylether, is described wherein 2'-acetyl-2,4,4'-trichlorodiphenylether is oxidised under Baeyer-Villiger conditions to produce 2'-acetoxy-2,4,4'-trichlorodiphenylether in near quantitative yield. Best oxidative conditions include the use of anhydrous permaleic acid produced in situ. The ester is purified readily by simple recrystallization, as no dibenzofurans and only minor amounts of byproducts are formed in the process. The ester is converted into the desired halogenated phenolic diphenylether, 2,4,4'-trichloro-2'-hydroxydiphenylether, by hydrolysis or transesterification. The final product is purified to a high degree by vacuum distillation and crystallization to meet current purity standards for approved applications.

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主要参考文献

[参考文献]: Takeshi Ohkuma, Et Al. Asymmetric Hydrogenation Of Alpha-Chloro Aromatic Ketones Catalyzed By Eta6-Arene/tsdpen-Ruthenium(Ii) Complexes. Org Lett. 2007 Jan 18;9(2):255-7.

合成参考文献

摘要:De Wildeman, S.; Sereinig, N., Science of Synthesis: Stereoselective Synthesis, (2011) 2, 160.
摘要:OʼBrien, M.; Polyzos, A., Science of Synthesis: Flow Chemistry in Organic Synthesis, (2018) 1, 255.
摘要:Casano, G.; Ouari, O., Science of Synthesis, (2021) , 47.
摘要:Wu, T.; Moeller, K. D., Science of Synthesis: Special Topics, (2021) 1, 490.

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CAS: 937-20-2; 2-Chloro-1-(4-Chlorophenyl)Ethanone

物理性质

MSDS等安全信息

欧盟法规

上下游产品

合成工艺路线路线简述

海关参考信息

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