CAS: 152943-33-4; 1-(3-Chlorophenyl)-2-Hydroxypropan-1-One

该化合物是一个有机化合物,其特性是氯酮功能组和一个氢氧基体组,该化合物的特点是丙酮骨柱,其代基体为3-氯苯,表明芳香环上存在氯原子;氢氧基体组具有作为苯丙烯化合物的潜力,这种化合物可影响其在各个溶剂中的再活性和溶解性;这种性质的化合物通常具有中度至高度极性,因为氯酮和氢氧基组都可进行氢结合;这种结构还可开展具体的生物活动,使其对制药和化学研究感兴趣;该化合物的稳定性,再活性和潜在用途可能因其分子相互作用和亚基体的存在而不同,这可能会影响其物理特性,例如沸点,熔点和不同介质中的溶性.

英文名称1-(3-Chlorophenyl)-2-Hydroxypropan-1-One
中文名称1-(3-氯苯基)-2-羟基丙-1-酮
IUPAC名称1-(3-chlorophenyl)-2-hydroxypropan-1-one
其它别名盐酸安非他酮usp相关物质c; 1-(3-Chlorophenyl)-2-Hydroxy-1-Propanone
CAS编号152943-33-4
MFCD编号:MFCD16165818
EINECS号:642-246-7
FDA UNII编号:HLG232MS8B
分子式:C9H9ClO2
分子量:184.62
产品CID: 750752
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: PRVHLTNNKRCHGO-UHFFFAOYSA-N
InChI=1S/C9H9ClO2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6,11H,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

67829-05-4 34841-35-5 55649-98-4

物理性质

沸点301.7±22.0 °C at 760 mmHg
密度1.253±0.06 g/cm3(预测)
pKa:12.71±0.20(预测)
PSA:37.3
LogP:1.9035
溶解性Chloroform (Slightly), Methanol (Slightly)
外观形态黄色
储存条件冰箱

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501
WGK Germany3

上下游产品

acetaldehyde m-Chlorobenzaldehyde rac-1-(3-chlorophenyl)-2-acetoxypropan-1-one (+/-)-methyl 2-{[(tert-butyldimethylsilyl)oxy](3-chlorophenyl)methyl}prop-2-enoate bupropion

合成工艺路线路线简述

合成目标产物 1-(3-Chlorophenyl)-2-Hydroxy-1-Propanone 主要起始原料 3'-Chloropropiophenone
23204-80-0 + 23204-84-4 = 152943-33-4 + 857233-13-7
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 = 152943-33-4 + 857233-13-7
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

3'-氯丙酮苯置于叔丁基过氧化氢,碘体系中,用癸烷,二甲基亚砜用作溶剂,化学反应 6.0H,以68%的收率获得1-(3-氯苯基)-2-羟基-1-丙酮
参考文献:Iodine Promoted α-Hydroxylation Of Ketones
标题:Iodine Promoted α-Hydroxylation Of Ketones
摘要:描述了一种在无金属条件下使用亚化学计量量的碘对酮进行α-羟基化的新方法.
Doi:10.1039/c5Ob00684H

海关参考信息

2902600000-乙苯
2903919090-氯苯
2905122000-异丙醇
2912110000-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:US-4302601-A
优先权日:1974-02-28
标题 :Aromatic ketones having cardiovascular activity
发明人：DEMARNE HENRI
权利人:CLIN MIDY
摘要:The present invention relates to phenoxypropane having the formula in which R1 and R2 are like or unlike and each is an alkyl group having 1-4 carbon atoms, R3 is hydrogen or an alkyl group having 1-4 carbon atoms, R4 is a halogen atom, preferably fluorine, chlorine or bromine, including their optical isomers and also their addition salts with acids. These compounds are of therapeutic value in the treatment of cardiovascular conditions. The invention also relates to methods of synthesis of these products including a synthesis which involves the production, as a intermediate of an 8-aza-4,9-dioxa-2,3-benzo-bicyclo-[4,2,1]-octane having the formula in which R1 and R4 are as above defined.

专利号:EP-1048737-B1
优先权日:1999-04-27
标题 :Stereoselective synthesis of 2-hydroxycÃ©tones
发明人：DUENNWALD THOMAS; GREINER LASSE; IDING HANS DR; LIESE ANDREAS DR; MUELLER MICHAEL DR; POHL MARTINA DR
权利人:FORSCHUNGSZENTRUM JUELICH GMBH

专利号:WO-0051546-A2
优先权日:1999-03-01
标题:Bupropion metabolites and methods of their synthesis and use

专利号:EP-1602369-A2
优先权日:2000-02-22
标题 :Bupropion Metabolites and Methods of their Synthesis and Use

专利号:US-2006058300-A1
优先权日:1999-03-01
标题 :Intermediates of bupropion metabolites synthesis

专利号:EP-1259243-B1
优先权日:2000-02-22
标题 :Bupropion metabolites and methods of their synthesis and use