CAS: 936-59-4; 3-Chloropropiophenone

该化合物是一种多用途中间体,在电光替代反应中提供高效的反活动,并且作为烷基剂有用. 它的特性便于净化和处理,成为实验室合成和研究应用的宝贵化合物,需要高度的特性和最小的副反应.

英文名称3-Chloropropiophenone
中文名称3-氯苯丙酮
IUPAC名称3-chloro-1-phenylpropan-1-one
其它别名3-Chloro-1-phenyl-1-propanone; beta-Chloropropiophenone
CAS编号936-59-4
MFCD编号:MFCD00000990
EINECS号:213-317-6
FDA UNII编号:WBZ9Q23H2T
分子式:C9H9ClO
分子量:168.62
产品CID: 1976434
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: KTJRGPZVSKWRTJ-UHFFFAOYSA-N
InChI=1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2…
计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数3.0

物理性质

熔点48-50 °C
沸点113-115 °C at 4 mmHg
闪点127.0±13.7 °C
密度1.1±0.1 g/cm3
PSA:17.07
LogP:2.4982
折射率1.527
蒸汽压0.0±0.5 mmHg at 25°C
溶解性Chloroform (Slightly), Methanol (Slightly)
敏感性常温常压下稳定，避免氧化物接触
外观形态类白色至淡黄色固体
储存条件惰性气氛,室温
产品应用该化合物用于不对称地削减(S)).
性质描述熔点48-50°C,沸点113-115°C(4毫米汞柱),闪点>110°C,水溶性Insoluble

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(经口)
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
严重眼损伤类别1
警示词Warning(警告)
危险描述H302 |吞咽有害.
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.
H318 |造成严重眼损伤.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
UN编号NONH for all modes of transport
危险品标志Xi
安全声明37/39-26-24/25
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 3-Chloropropiophenone 主要起始原料 3-Chloropropionyl Chloride And Benzene
625-36-5 = 936-59-4
反应条件:1.1 Reagents: Aluminum Chloride Solvents: Carbon Disulfide; Cooled; 6 H,Cooled1.2 Reagents: Water; Cooled
标题:Preparation Of Amine Compounds As Serotonin Reuptake Inhibitors
参考文献:China]

18776-12-0 = 936-59-4
反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Sodium Bromide Solvents: Acetic Acid,Water; 2 H,60 °C
标题:Sodium Bromide-Catalyzed Oxidation Of Secondary Benzylic Alcohols Using Aqueous Hydrogen Peroxide As Terminal Oxidant
作者:Komagawa,Hiromi; Maejima,Yukako; Nagano,Takashi
参考文献:Synlett 日期:2016 卷标:27(5) 页码:789-793]

625-36-5 = 936-59-4
反应条件:1.1 Catalysts: Aluminum Chloride Solvents: Dichloromethane; Cooled; 30 Min,Cooled; Cooled; 4 - 6 H,Cooled
标题:Nitrogen-Directed Ketone Hydroacylation: Enantioselective Synthesis Of Benzoxazecinones
作者:Khan,Hasan A.; Kou,Kevin G. M.; Dong,Vy M.
参考文献:Chemical Science 日期:2011 卷标:2(3) 页码:407-410]

625-36-5 = 936-59-4
反应条件:1.1 Catalysts: Aluminum Chloride Solvents: Dichloromethane; Rt -> 0 °C; 35 Min,0 °C1.2 Solvents: Dichloromethane; 1 H,0 °C; 1 H,0 - 5 °C; 0 °C -> Rt
标题:Asymmetric Synthesis Of (R)-Fluoxetine: A Practical Approach Using Recyclable And In-Situ Generated Oxazaborolidine Catalyst
作者:Padiya,Kamlesh; Gagare,Pravin; Gagare,Manjiri; Lal,Bansi
参考文献:Chinese Journal Of Chemistry 日期:2009 卷标:27(6) 页码:1137-1140]

625-36-5 = 936-59-4
反应条件:1.1 Catalysts: Aluminum Chloride Solvents: Dichloromethane; 0 °C1.2 Overnight,0 °C -> Rt1.3 Reagents: Water; 0 °C
标题:Synthesis Of Enantiomerically Pure γ-Azidoalcohols By Lipase-Catalyzed Transesterification
作者:Kamal,Ahmed; Malik,M. Shaheer; Shaik,Ahmad Ali; Azeeza,Shaik
参考文献:Tetrahedron: Asymmetry 日期:2008 卷标:19(9) 页码:1078-1083]

21087-29-6 = 936-59-4
反应条件:1.1 Reagents: Oxygen,Poly(Methylhydrosiloxane) Catalysts: Ferrous Chloride Solvents: Ethanol; 24 H,1 Atm,Rt -> 80 °C
标题:Iron-Catalyzed Wacker-Type Oxidation
作者:Liu,Binbin; Han,Wei
参考文献:Synlett 日期:2018 卷标:29(4) 页码:383-387]

625-36-5 = 936-59-4
反应条件:1.1 Reagents: Aluminum Chloride
标题:Addition Reactions Of Vinyl Phenyl Ketone. Ii. Desoxybenzoin
作者:Allen,C. F. H.; Barker,W. E.
参考文献:Journal Of The American Chemical Society 日期:1932 卷标:54 页码:736-48]

18776-12-0 = 936-59-4
反应条件:1.1 Reagents: Oxygen Catalysts: Lanthanum Iodide,4-Methoxy-5-Tert-Butyl-1,2-Benzoquinone Solvents: Acetonitrile; 1 H,1 Atm,Rt
标题:A Bio-Inspired Lanthanum-Ortho Quinone Catalyst For Aerobic Oxidation Of Alcohol
作者:Zhang,Ruipu; Zhang,Long; Zhang,Ming-Tian; Luo,Sanzhong
参考文献:Chemrxiv 日期:2020 卷标:1 页码:1-19]

18776-12-0 = 936-59-4
反应条件:1.1 Reagents: Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Catalysts: Tetrabutylammonium Hydrogen Sulfate,Benzenesulfonic Acid,5-[[[(1S)-2-Amino-1-Methyl-2-Oxoethyl]Amino]Carbonyl]-2-Io... (Polystyrene Resin-Supported) Solvents: Acetonitrile; 18 H,70 °C
标题:Oxidation Of Secondary Alcohols Using Solid-Supported Hypervalent Iodine Catalysts
作者:Ballaschk,Frederic; Kirsch,Stefan F.
参考文献:Green Chemistry 日期:2019 卷标:21(21) 页码:5896-5903]

18776-12-0 = 936-59-4
反应条件:1.1 Reagents: Oxygen Solvents: Acetone; Rt
标题:External Catalyst- And Additive-Free Photo-Oxidation Of Aromatic Alcohols To Carboxylic Acids Or Ketones Using Air/o2
作者:Xu,Meng; Ou,Jinhua; Luo,Kejun; Liang,Rongtao; Liu,Jian; Et Al
参考文献:Molecules 日期:2023 卷标:28(7)]

18776-12-0 = 936-59-4
反应条件:1.1 Catalysts: Benzene,Acridophosphino[2,1,10,9-Klmna]Acridophosphinium,6,12-Dihydro-6,6,12,12-Tetraph... Solvents: 2,2,2-Trifluoroethanol; 6 H,Rt
标题:Selective Oxidation Of Benzylic Alcohols Via Synergistic Bisphosphonium And Cobalt Catalysis
作者:Ding,Jia; Luo,Shuaishuai; Xu,Yuanli; An,Qing; Yang,Yi; Et Al
参考文献:Chemical Communications (Cambridge 日期:2023 卷标:59(27) 页码:4055-4058]

107-94-8 = 936-59-4
反应条件:1.1 Reagents: Phosphorus Trichloride; < 50 °C; 50 °C -> 60 °C; 1 H,60 °C; 60 °C -> Rt1.2 Reagents: Aluminum Chloride; 10 Min,Rt1.3 15 - 20 °C; 20 °C -> 58 °C; 1 H,58 °C1.4 Reagents: Water; Cooled
标题:Synthesis Of 3-Methyl Amino-1-Phenylpropyl Alcohol
作者:Jiang,Zulin; Xie,Jianwei
参考文献:Huagong Shengchan Yu Jishu 日期:2009 卷标:16(3) 页码:27-29]

100306-34-1 = 936-59-4
反应条件:1.1 Reagents: Glucose Solvents: Dimethyl Sulfoxide,Water; 8 H,Ph 5.5,30 °C
标题:Asymmetric Synthesis Of (S)-3-Chloro-1-Phenylpropanol With Immobilized Acetobacter Sp. Cctcc M209061 Cells In A Monophasic System
作者:Huang,Yu-Mei; Xu,Yu; Zhao,Bing-Yi; Lou,Wen-Yong
参考文献:Xiandai Shipin Keji 日期:2015 卷标:31(9) 页码:124-131]

625-36-5 = 936-59-4
反应条件:1.1 Catalysts: Aluminum Chloride Solvents: Dichloromethane; 0 °C; 0 °C -> Rt; Overnight,Rt1.2 Reagents: Water; 0 °C
标题:Lipase Mediated Resolution Of γ-Azidoalcohols In Aqueous And Organic Media: Synthesis Of (R)- And (S)-Fluoxetine And Duloxetine
作者:Kamal,Ahmed; Malik,M. Shaheer; Shaik,Ahmad Ali; Azeeza,Shaik
参考文献:Journal Of Molecular Catalysis B: Enzymatic 日期:2009 卷标:58(1-4) 页码:132-137]

21087-29-6 = 936-59-4
反应条件:1.1 Reagents: Triethoxysilane,Oxygen Catalysts: Iron(Ii) Acetylacetonate Solvents: Tert-Butanol; 24 H,Rt1.2 Reagents: Ammonia; 1 H,Rt
标题:Wacker-Type Oxidation Using An Iron Catalyst And Ambient Air: Application To Late-Stage Oxidation Of Complex Molecules
作者:Liu,Binbin; Jin,Fengli; Wang,Tianjiao; Yuan,Xiaorong; Han,Wei
参考文献:Angewandte Chemie 日期:2017 卷标:56(41) 页码:12712-12717]

2687-12-9 = 936-59-4
反应条件:1.1 Reagents: Oxygen,1,1,2,2-Tetraphenyldisilane Catalysts: Iron Chloride (Fecl3) Solvents: Tert-Butanol; 24 H,80 °C1.2 Reagents: Ammonia Solvents: Water; 1 H
标题:Method For Synthesizing Ketone By Iron Catalytic Oxidation Of Alkene
参考文献:China]

18776-12-0 = 936-59-4
反应条件:1.1 Reagents: Potassium Persulfate Catalysts: Vanadium Oxide (V2O5) (Supported On Tio2) Solvents: Acetonitrile,Water; 1 H,80 °C
标题:V2O5@tio2 Catalyzed Green And Selective Oxidation Of Alcohols,Alkylbenzenes And Styrenes To Carbonyls
作者:Upadhyay,Rahul; Kumar,Shashi; Maurya,Sushil K.
参考文献:Chemcatchem 日期:2021 卷标:13(16) 页码:3594-3600]

18776-12-0 = 936-59-4
反应条件:1.1 Reagents: Oxygen Catalysts: Lanthanum Iodide,4-Methoxy-5-Tert-Butyl-1,2-Benzoquinone Solvents: Acetonitrile; 2 H,1 Atm,Rt
标题:Bio-Inspired Lanthanum-Ortho-Quinone Catalysis For Aerobic Alcohol Oxidation: Semi-Quinone Anionic Radical As Redox Ligand
作者:Zhang,Ruipu; Zhang,Runze; Jian,Ruijun; Zhang,Long; Zhang,Ming-Tian; Et Al
参考文献:Nature Communications 日期:2022 卷标:13(1)]

625-36-5 = 936-59-4
反应条件:1.1 Reagents: Aluminum Chloride
标题:Studies In The Quinoline Series. Ix. 4-Substituted 8-Aminoquinolines And Related Naphthalenes
作者:Campbell,Kenneth N.; Laforge,Raymond A.; Campbell,Barbara K.
参考文献:Journal Of Organic Chemistry 日期:1949 卷标:14 页码:346-54]

2051-95-8 = 936-59-4
反应条件:1.1 Reagents: 1,2-Dichloroethane,2,6-Lutidine,Iodobenzene Diacetate Catalysts: 2,4,5,6-Tetra(9H-Carbazol-9-Yl)Isophthalonitrile; 16 H,25 °C
标题:Sustainable Photoinduced Decarboxylative Chlorination Mediated By Halogen Atom Transfer
作者:Levitre,Guillaume; Granados,Albert; Molander,Gary A.
参考文献:Green Chemistry 日期:2023 卷标:25(2) 页码:560-565

1-氯-3-苯基丙烷置于oxone,Potassium Bromide体系中,用二氯甲烷,水作为反应溶剂,化学反应 24.0H,以97%的收率获得产物3-氯代苯丙酮
参考文献:Direct And Selective Benzylic Oxidation Of Alkylarenes Via C-h Abstraction Using Alkali Metal Bromides
标题:Direct And Selective Benzylic Oxidation Of Alkylarenes Via C-h Abstraction Using Alkali Metal Bromides
摘要:A Direct Benzylic Oxidation Of Alkylarenes Via C-H Bond Abstraction Was Developed Using Alkali Metal Bromides And Oxidants Under Mild Conditions. This Reaction Proceeded With Excellent Selectivity By Thermal Oxidation Or Photooxidation To Provide A Broad Range Of Carbonyl Compounds Containing Electron-Deficient Aryl Carbonyl Compounds In High Yields.
DOI:10.1021/ol300853Z

海关参考信息

2902600000-乙苯
2912110000-甲醛
2912120000-乙醛
2912210000-苯甲醛
💡 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:EP-2589587-A1
优先权日:2011-11-04
标题:Synthesis of nitrogen substituted cyclopropanes
发明人：RASPARINI MARCELLO; TADDEI MAURIZIO; CINI ELENA; MINELLI COSIMA; TURNER NICHOLAS; HUGENTOBLER KATHARINA GLORIA
权利人:CHEMO IBERICA SA
摘要:The invention is about a new synthetic pathway for the preparation of enantiomerically pure nitrogen substituted cyclopropanes, in particular the trans- cyclopropanamine ( 1 ), a key intermediate in the synthesis of Ticagrelor:n n The invention also relates to the processes for preparing said compounds or their salts and the use of said compounds as intermediates in preparing pharmaceutically active ingredients.

专利号:US-6838581-B2
优先权日:2002-12-04
标题:Process for the preparation of enantiomerically pure 3-phenyl-3-hydroxypropylamine
发明人：KUMAR PRADEEP; PANDEY RAJESH KUMAR
权利人:COUNCIL SCIENT IND RES
摘要:The present invention relates to an improved process for the synthesis of enantiomerically pure 3-phenyl-3-hydroxypropylamine of formula I; more particularly the present invention relates to the said process using styrene; n n nthe synthetic strategy features a Sharpless asymmetric dihydroxylation (SAD) route to the target compound, using styrene, a readily accessible starting material gives the optically pure dihydroxy compound (ee >97%; the selective monotosylation of primary alcohol, nucleophilic displacement by cyano and subsequent reduction to amino group furnishes the desired 3-phenyl-3-hydroxypropylamine in enatiomerically pure form, a key intermediate in the synthesis of variety of oxetine related anti-depressant drugs.

专利号:US-8487094-B2
优先权日:2008-07-25
标题 :Synthesis of inhibitors of 11Î²-hydroxysteroid dehydrogenase type 1
发明人：FANDRICK KEITH R; GAO JOE JU; LI WENJIE; LU ZHI-HUI; ZHANG YONGDA
权利人:FANDRICK KEITH R; GAO JOE JU; LI WENJIE; LU ZHI-HUI; ZHANG YONGDA; BOEHRINGER INGELHEIM INT
摘要:Disclosed are syntheses of 11Î²-HSD1 inhibitors and corresponding intermediates that are promising for the treatment of a variety of disease states including diabetes, metabolic syndrome, obesity, glucose intolerance, insulin resistance, hyperglycemia, hypertension, hypertension-related cardiovascular disorders, hyperlipidemia, deleterious gluco-corticoid effects on neuronal function (e.g. cognitive impairment, dementia, and/or depression), elevated intra-ocular pressure, various forms of bone disease (e.g., osteoporosis), tuberculosis, leprosy (Hansen's disease), psoriasis, and impaired wound healing (e.g., in patients that exhibit impaired glucose tolerance and/or type 2 diabetes).

专利号:US-11434196-B2
优先权日:2019-01-15
标题 :Process for preparation of 2-Amino-5-hydroxy propiophenone
发明人：VASIREDDI UMA MAHESWER RAO; KINTALI VENKATA RAMANA; DADI JAGADEESWARA RAO; KATKURI RAJ KOTI; TUMMU SRIDHAR
权利人:LAURUS LABS LTD
摘要:The present invention relates to a process for preparation of 2-Amino-5-hydroxy propiophenone, a key intermediate for the synthesis of camptothecin analogs including 7-Ethyl-10-hydroxycamptothecin (SN-38).

专利号:US-6025517-A
优先权日:1998-08-03
标题:Fluoxetine process from benzoylacetonitrile
发明人：HILBORN JAMES WALLACE; JURGENS ALEX ROGER
权利人:SEPRACOR INC
摘要:A synthesis of fluoxetine is disclosed. The process begins with benzoylacetonitrile, which is reduced, optionally in the presence of a chiral ligand, to produce the corresponding aminoalcohol, and the amine is carbamoylated without isolation. The alcohol is deprotonated and reacted with 4-chloro- or 4-fluoro benzotrifluoride or with 4-trifluoromethylphenol to provide a carbamate of fluoxetine. The carbamate is reduced with a hydride or with borane to provide fluoxetine free base. The process may be employed for the synthesis of individual enantiomers of fluoxetine.

专利号:US-6660884-B2
优先权日:2002-03-14
标题 :Catalysts, methods for making said catalysts, and methods for making chiral compounds with high enantioselectivity
发明人：WALSH PATRICK J
权利人:UNIV PENNSYLVANIA
摘要:The present invention relates to compounds useful as catalysts in asymmetric synthesis of chiral compounds, methods for the synthesis of said catalysts, and methods for synthesizing chiral compounds with high enantioselectivity.

其他信息查阅

嘉兴市吉拉特化工有限公司

网址: http://www.jlightchem.com
企业联系电话：0573-82813637;82813639👤
地址:浙江省嘉兴市大桥镇嘉兴工业园区东塘支路北侧

⚠️ 未注册 · 未认证企业

备注: 📌 数据来源说明：本展台内容基于各搜索引擎等公开数据整理，仅作展示用途。请用户自行辨别
✉️ 若企业需抹除展台内容或有异议，请通过页面底部联系方式告知我们，我们会尽快处理。

常州科莱博化工有限公司

网址: http://www.keylabchem.com
电话: 0519-83317517👤

⚠️ 未注册 · 未认证企业

备注: 📌 数据来源说明：本展台内容基于各搜索引擎等公开数据整理，仅作展示用途。请用户自行辨别 ✉️ 若企业需抹除展台内容或有异议，请通过页面底部联系方式告知我们，我们会尽快处理。

台州东东医药化工有限公司

网址: http://www.dongdong-chem.com
电话: 0576-85698929👤
临海市沿江镇化工区

⚠️ 未注册 · 未认证企业

备注: 📌 数据来源说明：本展台内容基于各搜索引擎等公开数据整理，仅作展示用途。请用户自行辨别 ✉️ 若企业需抹除展台内容或有异议，请通过页面底部联系方式告知我们，我们会尽快处理。

上海佰特因医药科技有限公司

网址: http://www.better-in.com
电话: 021-38921049 13564871374👤

⚠️ 未注册 · 未认证企业

备注: 📌 数据来源说明：本展台内容基于各搜索引擎等公开数据整理，仅作展示用途。请用户自行辨别 ✉️ 若企业需抹除展台内容或有异议，请通过页面底部联系方式告知我们，我们会尽快处理。

上海灏云化工科技有限公司

网址: http://www.haoyunchem.com
企业联系电话：021-68367562,68369562,15002147577👤
地址:上海市浦东新区沈梅路123弄3号楼808室

⚠️ 未注册 · 未认证企业

上海东满进出口有限公司

网址: http://www.domen.com.cn
企业联系电话：021-61066956/57/58，61043548👤
地址:上海市浦东新区新金桥路1088号中惠广场A座1907室

⚠️ 未注册 · 未认证企业

北京上草生物科技有限公司

网址: http://www.china-api.cn
企业联系电话：010-51288246👤
地址:北京市通州区金桥科技产业基地景盛南四街17号联东U谷58号楼

⚠️ 未注册 · 未认证企业

老河口光联科技有限公司

网址: http://www.lhkglhg.com
企业联系电话：13635789630👤
地址:湖北省老河口市科技产业园横二路

⚠️ 未注册 · 未认证企业

江西埃菲姆药业有限公司

网址: http://www.afmpharm.com
企业联系电话：0570-6040288👤
地址:江西省万年县石镇工业园区

⚠️ 未注册 · 未认证企业

济南福方化工有限公司

网址: http://www.fufangchem.com
企业联系电话：0531-66593191/13082737003👤
地址:济南市中区岔路街308号

⚠️ 未注册 · 未认证企业

第 1 / 1 页

现货

供应商参考报价(招募中)

品牌试剂参考报价(招募中)

实用工具

📌 第三方产品分析报告

✅ COA系统入驻 | 共享模式

主要参考文献

[参考文献]: Yu-Chang Liu, Et Al. Synthesis Of Enantiopure Glycidol Derivatives Via A One-Pot Two-Step Enzymatic Cascade. Org Biomol Chem. 2015 Feb 21;13(7):2146-52.

合成参考文献

摘要:Takeda, T.; Tsubouchi, A., Science of Synthesis, (2010) 47, 258.
摘要:Lipshutz, B. H.; Ghorai, S., Science of Synthesis Knowledge Updates, (2014) 2, 178.
摘要:Okamoto, K.; Ohe, K., Science of Synthesis Knowledge Updates, (2020) 1, 100.
摘要:Sharma, U.; Kumar, R.; Gupta, S. S.; Chandra, D., Science of Synthesis Knowledge Updates, (2022) 2, 204.
摘要:March, T. L.; Duggan, P. J., Science of Synthesis Knowledge Updates, (2014) 1, 384.

📝 需求与反馈

📲 手机号 / 邮箱 *

✏️ 问题内容 *

尽可能描述清楚需求与问题信息

CAS: 936-59-4; 3-Chloropropiophenone

该化合物是一种多用途中间体,在电光替代反应中提供高效的反活动,并且作为烷基剂有用. 它的特性便于净化和处理,成为实验室合成和研究应用的宝贵化合物,需要高度的特性和最小的副反应.

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

专利信息

其他信息查阅

供应商参考报价(招募中)

品牌试剂参考报价(招募中)

实用工具

📌 第三方产品分析报告

主要参考文献

合成参考文献

通知