CAS: 857233-13-7; 1-(3-Chlorophenyl)-1-Hydroxypropan-2-One

该化合物是有机化合物,其特点是氯酮功能组和附属于丙酮主干体的氢氧基体;该化合物具有3-氯苯替代体,有助于其化学特性和潜在的生物活动;通常,由于氯酮和羟基组的存在,这种性质的化合物具有中等极性,影响其在水等极地溶剂中的溶解性;该氯苯组可能与生物系统产生独特的反应和互动,使其对医药化学和药理学感兴趣;此外,该氢氧组的存在表明氢联结的潜力,可能影响化合物的沸点和熔点;总体而言,2-丙酮,1-(3--氯联苯)-1-氢氧-由于结构特征和功能组,可能在不同领域(包括制药和农用化学品)应用.

英文名称1-(3-Chlorophenyl)-1-Hydroxypropan-2-One
中文名称1-(3-氯苯基)-1-羟基-2-丙酮
IUPAC名称1-(3-chlorophenyl)-1-hydroxypropan-2-one
其它别名Bupropion Hydrochloride Impurit ⅱ：bupropion Related Compound F; Bupropion Impurity 6（bupropion Usp Rc F）; Bupropion Hydrochloride Related Compound F (30 Mg) (1-(3-Chlorophenyl)-1-Hydroxy-2-Propanone) (Cold Shipment Required); 1-(M-Chlorophenyl)-1-Hydroxy-2-Propanone; Buprion Related Compound F; Bupropion Impurity-F(Usp); 1-(3-Chlorophenyl)-1-Hydroxy-2-Propanone; Bupropion Usp Related Compound F
CAS编号857233-13-7
MFCD编号:MFCD16251305
FDA UNII编号:ZH3TKS3HJR
分子式:C9H9ClO2分子量:184.62
产品CID: 1855634
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
InChIKey: HTTAEBUFKZSUKE-UHFFFAOYSA-N
InChI=1S/C9H9ClO2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-5,9,12H,1H3
计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数2.0

相似化合物

112777-67-0 120121-01-9 135145-34-5

物理性质

沸点106-108 °C(压力: 0.5 Torr)
密度1.240 g/cm3
pKa:12.06±0.20(预测)
PSA:37.3
LogP:1.9624
溶解性Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly)
外观形态液体
储存条件防潮, -86°C 冰箱, 在惰性气其中

上下游产品

methyl magnesium iodide 3-chloro-mandelic acid-amide (+/-)-methyl 2-{[(tert-butyldimethylsilyl)oxy](3-chlorophenyl)methyl}prop-2-enoate (+/-)-2-{[(tert-butyldimethylsilyl)oxy](3-chlorophenyl)methyl}prop-2-enoic acid

合成工艺路线路线简述

23204-80-0 + 23204-84-4 = 857233-13-7 + 152943-33-4
反应条件:1.1 Reagents: Sodium Bicarbonate,Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Catalysts: Ruthenium Trichloride Solvents: Acetonitrile,Ethyl Acetate,Water; Rt1.2 20 Min,Rt
标题:Chemo-,Regio-,Diastereo-,And Enantioselective Palladium Allylic Alkylation Of 1,3-Dioxaboroles As Synthetic Equivalents Of α-Hydroxyketones
作者:Trost,Barry M.; Et Al
参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(24) 页码:9521-9526]

1530-32-1 + 587-04-2 = 857233-13-7 + 152943-33-4
反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; 0.5 Min,-78 °C; -78 °C -> Rt; 10 Min,Rt; Rt -> -78 °C1.2 Solvents: Tetrahydrofuran; 1 Min,-78 °C; 10 Min,-78 °C; -78 °C -> Rt; 30 Min,Rt2.1 Reagents: Sodium Bicarbonate,Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Catalysts: Ruthenium Trichloride Solvents: Acetonitrile,Ethyl Acetate,Water; Rt2.2 20 Min,Rt
标题:Chemo-,Regio-,Diastereo-,And Enantioselective Palladium Allylic Alkylation Of 1,3-Dioxaboroles As Synthetic Equivalents Of α-Hydroxyketones
作者:Trost,Barry M.; Et Al
参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(24) 页码:9521-9526

📜(+/-)-Methyl 2-{[(Tert-Butyldimethylsilyl)Oxy](3-Chlorophenyl)Methyl}Prop-2-Enoate置于sodium Azide,四丁基氟化铵,水,三乙胺,Lithium Hydroxide体系中,用甲醇,丙酮,甲苯,乙腈作为反应溶剂,化学反应 12.08H,反应生成 1-(3-氯苯基)-1-羟基-2-丙酮
参考文献:Hyphenating The Curtius Rearrangement With Morita-Baylis-Hillman Adducts: Synthesis Of Biologically Active Acyloins And Vicinal Aminoalcohols
标题:Hyphenating The Curtius Rearrangement With Morita-Baylis-Hillman Adducts: Synthesis Of Biologically Active Acyloins And Vicinal Aminoalcohols
摘要:
DOI:10.1590/s0103-50532011000800022