CAS: 877-37-2; 2-Bromo-4'-Chloropropiophenone

该化合物是一种有机化合物,其特点是其溴和氯替代物在丙酮骨干上具有溴和氯替代物的特征;该化合物的特点是一个氯酮功能组,这表明其活性及其在有机合成中的潜在应用;4-氯苯组的存在增强了其致命性,使其在各种化学反应中有用,包括核生殖替代和混合反应;一般而言,该物质是固体或液体,视具体情况而定,在有机溶剂中可溶解;溴原子有助于其再活性,允许进一步衍生;在处理该化合物时,安全考虑十分重要,因为溴化化合物和氯化化合物都可能构成健康风险;应当遵循适当的储存和处理规程,以尽量减少接触;

英文名称2-Bromo-4'-Chloropropiophenone
中文名称2-溴-1-(4-氯苯基)丙-1-酮
IUPAC名称2-bromo-1-(4-chlorophenyl)propan-1-one
其它别名2-溴-4-氯苯丙酮; 2-Bromo-1-(4-Chlorophenyl)-1-Propanone
CAS编号877-37-2
MFCD编号:MFCD00018687
EINECS号:814-935-4
FDA UNII编号:AMQ3Z6C54F
分子式:C9H8BrClO
分子量:247.52
产品CID: 1885906
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: SAKMPXRILWVZEG-UHFFFAOYSA-N
InChI=1/C9H8BrClO/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3…
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

物理性质

熔点77-79 °C
沸点296.7±15.0 °C at 760 mmHg
闪点133.2 °C
密度1.518±0.06 g/cm3(预测)
PSA:17.07
LogP:3.3061
折射率1.57
蒸汽压0.00141 mmHg at 25 °C
溶解性Chloroform (Slightly), Methanol (Slightly)
外观形态类白色至浅米色固体
储存条件2-8°C
产品应用该化合物用于实验室研发和化学生产过程.

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(吸入)
急性毒性类别4(经皮)
急性毒性类别4(经口)
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(警告)
危险描述H332 |吸入有害.
H312 |皮肤接触有害.
H302 |吞咽有害.
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-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

欧盟法规

C&L通报

上下游产品

4'-chloropropiophenone α-bromopropionyl bromide chlorobenzene triphenylphosphine 1-(4-chlorophenyl)-2-thi°Cyanatopropan-1-one N-[2-(4-chloro-phenyl)-1-methyl-2-oxo-ethyl]-phthalimideN-[2-(4-chloro-phenyl)-1-methyl-2-oxo-ethyl]-phthalimide 2-benzoylimino-4-(4-chloro-phenyl)-5-methyl-3-phenyl-thiazolidin-4-ol -1--propanon-(1)2-4-Chlor-anilino-1-4-chlor-phenyl-propanon-(1)

合成工艺路线路线简述

合成目标产物 2-Bromo-4-Chloropropiophenone 主要起始原料 4'-Chloropropiophenone
563-76-8 = 877-37-2
反应条件:1.1 Reagents: Aluminum Chloride Solvents: 1,2-Dichloroethane; 0 °C; 30 Min,0 °C1.2 0 °C; 4 H,0 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Cooled
标题:X-Ray Powder Diffraction - A Non-Destructive And Versatile Approach For The Identification Of New Psychoactive Substances
作者:Jurasek,Bronislav; Et Al
参考文献:Talanta 日期:2019 卷标:195 页码:414-418]

1117-96-0 = 877-37-2
反应条件:1.1 Solvents: Diethyl Ether; 30 Min,-20 °C2.1 Reagents: Hydrogen Bromide
标题:The Use Of Higher Diazohydrocarbons In The Arndt-Eistert Synthesis
作者:Wilds,A. L.; Et Al
参考文献:Journal Of Organic Chemistry 日期:1948 卷标:13 页码:763-79]

873-77-8 = 877-37-2
反应条件:1.1 0 °C; 1 - 2 H,0 °C1.2 Reagents: Ammonium Chloride Solvents: Water2.1 Reagents: N-Bromosuccinimide Solvents: Tetrahydrofuran; 10 Min,Rt
标题:Nbs-Mediated Synthesis Of β-Keto Sulfones From Benzyl Alcohols And Sodium Arenesulfinates
作者:Muneeswara,Madithedu; Et Al
参考文献:Tetrahedron 日期:2019 卷标:75(25) 页码:3479-3484]

6285-05-8 = 877-37-2
反应条件:1.1 Reagents: Bromine; 0 °C; 20 Min,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water
标题:N-Aminoimidazole Derivatives Inhibiting Retroviral Replication Via A Yet Unidentified Mode Of Action
作者:Lagoja,Irene M.; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2003 卷标:46(8) 页码:1546-1553]

13856-85-4 = 877-37-2
反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Tetrahydrofuran; 10 Min,Rt
标题:Nbs-Mediated Synthesis Of β-Keto Sulfones From Benzyl Alcohols And Sodium Arenesulfinates
作者:Muneeswara,Madithedu; Et Al
参考文献:Tetrahedron 日期:2019 卷标:75(25) 页码:3479-3484]

20461-80-7 = 877-37-2
反应条件:1.1 Reagents: Hydrogen Bromide
标题:The Use Of Higher Diazohydrocarbons In The Arndt-Eistert Synthesis
作者:Wilds,A. L.; Et Al
参考文献:Journal Of Organic Chemistry 日期:1948 卷标:13 页码:763-79]

106-39-8 = 877-37-2
反应条件:1.1 Reagents: Magnesium,Iodine Solvents: Tetrahydrofuran; Rt; 30 Min,Rt2.1 0 °C; 1 - 2 H,0 °C2.2 Reagents: Ammonium Chloride Solvents: Water3.1 Reagents: N-Bromosuccinimide Solvents: Tetrahydrofuran; 10 Min,Rt
标题:Nbs-Mediated Synthesis Of β-Keto Sulfones From Benzyl Alcohols And Sodium Arenesulfinates
作者:Muneeswara,Madithedu; Et Al
参考文献:Tetrahedron 日期:2019 卷标:75(25) 页码:3479-3484]

614-95-9 = 877-37-2
反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Diethyl Ether,1-Propanol; 5 Min,50 °C2.1 Solvents: Diethyl Ether; 30 Min,-20 °C3.1 Reagents: Hydrogen Bromide
标题:The Use Of Higher Diazohydrocarbons In The Arndt-Eistert Synthesis
作者:Wilds,A. L.; Et Al
参考文献:Journal Of Organic Chemistry 日期:1948 卷标:13 页码:763-79

4-氯苯丙酮置于n-溴代丁二酰亚胺(Nbs),柠檬酸体系中,用乙醇,水作为反应溶剂,化学反应 0.25H,反应生成 2-溴-4-氯苯丙酮
参考文献:柠檬酸一锅中通过c-br,C-s和c-n键的形成从酮中合成2,4-二取代的噻唑:一种绿色方法
标题:柠檬酸一锅中通过c-br,C-s和c-n键的形成从酮中合成2,4-二取代的噻唑:一种绿色方法
摘要:已开发出一种改进的,更环保的方案,可通过一步一步从现成的酮类n-溴代琥珀酰亚胺(nbs),C-Br,C-S和c-N键的形成中合成2,4-二取代的噻唑,在回流条件下,柠檬酸在乙醇和水(3:1)的混合物中由柠檬酸催化硫脲.该方法的优点是无需分离催泪性α-溴代酮,易于操作,反应曲线更干净,底物范围宽,无需色谱纯化和适合大规模合成.
DOI:10.1002/jccs.201700200

海关参考信息

2902600000-乙苯
2903919090-氯苯
2912110000-甲醛
2912120000-乙醛
💡 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-9409879-B2
优先权日:2011-03-29
标题 :Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents
发明人：DAVIOUD-CHARVET ELISABETH; LANFRANCHI DON ANTOINE; JOHANN LAURE; WILLIAMS DAVID LEE; CESAR RODO ELENA
权利人:DAVIOUD-CHARVET ELISABETH; LANFRANCHI DON ANTOINE; JOHANN LAURE; WILLIAMS DAVID LEE; CESAR RODO ELENA; CENTRE NAT RECH SCIENT
摘要:Naphthoquinones, azanaphthoquinones and benxanthones, their process of synthesis and methods of their use as antimalarial or antischistosomal agents.

专利号:US-2014121238-A1
优先权日:2011-03-29
标题:Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents

专利号:WO-2012131010-A1
优先权日:2011-03-29
标题 :Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents

专利号:CN-103534238-A
优先权日:2011-03-29
标题:Total synthesis of redox active 1, 4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistosomimetics

专利号:EP-2691372-A1
优先权日:2011-03-29
标题 :Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents

专利号:EP-2691372-B1
优先权日:2011-03-29
标题 :Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents