CAS: 84459-33-6; 2-Bromo-4-Chlorobenzaldehyde

该化合物是一种有机化合物,其特点是苯甲醚结构中含有溴和氯替代物,其特点是一个带有气态组(CHO)的苯环,以及第二位置的溴原子和与气态组相对第四位置的氯原子.该化合物一般是一种在室温时为浅黄色至浅褐色的固体,以其芳香特性为名.它溶于乙醇和二氯甲烷等有机溶剂,但由于其湿气结构,在水中溶解性有限. 2-Bromo-4-氯-苯甲醚经常用于有机合成,特别是由于它具有再活动性,并且有能力参与电药用替代反应.此外,它可能展示生物活动,从而引起对药用化学的兴趣.适当的处理和安全防范措施由于其潜在的毒性和再活性而必不可少.

英文名称2-Bromo-4-Chlorobenzaldehyde
中文名称4-氯-2-溴苯甲醛
IUPAC名称2-bromo-4-chlorobenzaldehyde
其它别名4-氯-2-溴苯甲醛 2-溴-4-氯苯甲醛; Benzaldehyde, 2-Bromo-4-Chloro-
CAS编号84459-33-6
MFCD编号:MFCD09056792
EINECS号:800-465-7
分子式:C7H4BrClO
分子量:219.46
产品CID: 1832880
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: AJOAHIKYBSZIEV-UHFFFAOYSA-N
InChI=1S/C7H4BrClO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H…
计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数1.0

MSDS等安全信息

GHS象形图
GHS符号GHS07 & GHS09;
注释: Exclamation mark & Environment
危险类别急性毒性类别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2
水生慢性毒性类别2
急性毒性类别4(吸入)
急性毒性类别4(经皮)
严重眼刺激类别2A
警示词Warning(警告)
危险描述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.
H411 |对水生生物有毒并具有长期持续影响.
H332 |吸入有害.
H312 |皮肤接触有害.
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Xn
安全声明26
危险类别码22-36/37/38
WGK Germany3

欧盟法规

C&L通报

上下游产品

CAS号143888-84-0 (2-溴-4-氯苯基)甲醇 | CAS号1202889-66-4 2-bromo-4-chlor... | CAS号143888-84-0 (2-溴-4-氯苯基)甲醇 | CAS号1203589-45-0 5-氯-2-甲酰基苯甲酸甲酯 | CAS号84459-37-0 8-chloro-10-phe...

合成工艺路线路线简述

合成目标产物 2-Bromo-4-Chlorobenzaldehyde 主要起始原料 (2-Bromo-4-Chlorophenyl)Methanol
27139-97-5 = 84459-33-6
反应条件:1.1 Reagents: Acetic Anhydride,Sulfuric Acid Solvents: Acetic Acid,Water; Rt -> 0 °C1.2 Reagents: Chromium Trioxide Solvents: Acetic Acid; 1.5 H,0 °C; 1 H,0 °C1.3 Reagents: Water; Cooled1.4 Reagents: Hydrochloric Acid Solvents: 1,4-Dioxane,Water; 2.5 H,Rt -> Reflux
标题:Synthesis Of [2-[[[[1-(1H-Inden-2-Yl)Ethylidene]Amino]Oxy]Methyl]Phenyl]-N-Methoxycarbamic Acid Methyl Ester And N-[2-[[[[1-(1H-Inden-2-Yl)Ethylidene]Amino]Oxy]Methyl]Phenyl]-N-Methoxy-N'-Methylurea Derivatives
作者:Tu,Song; Et Al
参考文献:Nongyao 日期:2006 卷标:45(10) 页码:677-680]

31928-44-6 = 84459-33-6
反应条件:1.1 Reagents: Magnesate(1-),Dichloro(1-Methylethyl)-,Lithium (1:1) Solvents: Tetrahydrofuran; -78 °C; 2 H,-78 °C1.2 -78 °C -> Rt; 12 H,Rt1.3 Reagents: Ammonium Chloride Solvents: Dichloromethane,Water; Rt
标题:Near-Infrared Fluorescein Dyes Containing A Tricoordinate Boron Atom
作者:Ando,Naoki; Et Al
参考文献:Chemical Science 日期:2019 卷标:10(33) 页码:7816-7821]

27139-97-5 = 84459-33-6
反应条件:1.1 Reagents: N-Bromosuccinimide Catalysts: Azobisisobutyronitrile Solvents: Carbon Tetrachloride; 5 H,90 °C1.2 Reagents: Silver Nitrate Solvents: Tetrahydrofuran,Water; 3 H,Rt
标题:The Synthesis Of Racemic,Diastereo- And Enantiopure Carba- Or Oxa[5]-,[6]-,[7]-,And [19]Helicene (Di)Thiol Derivatives
作者:Nejedly,Jindrich; Et Al
参考文献:Journal Of Organic Chemistry 日期:2020 卷标:85(1) 页码:248-276]

27139-97-5 = 84459-33-6
反应条件:1.1 Reagents: Acetic Anhydride,Chromium Trioxide,Sulfuric Acid Solvents: Acetic Acid,Water; Rt -> 0 °C; 1.5 H,0 °C; 2 H,0 °C1.2 Reagents: Hydrochloric Acid Solvents: 1,4-Dioxane; 2.5 H,Reflux
标题:Synthesis And Fungicidal Activities Of Novel Indene-Substituted Oxime Ether Strobilurins
作者:Tu,Song; Et Al
参考文献:Journal Of Agricultural And Food Chemistry 日期:2008 卷标:56(13) 页码:5247-5253]

936-08-3 = 84459-33-6
反应条件:1.1 Reagents: (Dimethyl Sulfide)Trihydroboron Solvents: Tetrahydrofuran; Rt; 3 H,70 °C1.2 Reagents: Manganese Oxide (Mno2) Solvents: Dichloromethane; 18 H,Rt
标题:Synthesis And Structure-Activity Relationships Of Second-Generation Hydroxamate Botulinum Neurotoxin A Protease Inhibitors
作者:Capkova,Katerina; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2007 卷标:17(23) 页码:6463-6466]

57381-49-4 = 84459-33-6
反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Toluene; 0 °C; 0 °C -> 45 °C; 12 H,45 °C; 45 °C -> Rt1.2 Reagents: Methanol Solvents: Toluene
标题:Palladium-Catalyzed Ring-Forming Aminoalkenylation Of Alkenes With Aldehydes Initiated By Intramolecular Aminopalladation
作者:Hu,Yue; Et Al
参考文献:Angewandte Chemie 日期:2017 卷标:56(9) 页码:2473-2477

2-溴-4-硝基甲苯置于盐酸,N-溴代丁二酰亚胺(Nbs),Hydrazine Hydrate,2-(4-联苯基)-5-苯基唑,Sodium Nitrite体系中,用四氯乙烯,乙醇,二氯甲烷,水作为反应溶剂,化学反应生成 2-溴-4-氯苯甲醛
参考文献:一种2-溴-4氯苯甲醛的制备方法
标题:一种2-溴-4氯苯甲醛的制备方法
摘要:本发明涉及一种2‑溴‑4氯苯甲醛的制备方法,属于药物化学领域.所述制备方法可以通过以对硝基甲苯为起始物料,经过取代,还原,取代,取代,取代,水解及消除反应,得到2‑溴‑4氯苯甲醛;该方法与现有技术相比,缩短了反应时间,反应温度由120oc以上,降至常温反应,反应条件变温和,所得产物的收率由70%左右,提高至90%以上;因反应温度降低,无需高沸点溶剂参与反应,后处理简单,更适合日趋严格的安全与环保的工业化生产.

海关参考信息

2903919090-氯苯
2912110000-甲醛
2912210000-苯甲醛
2903991000-对氯甲苯
💡 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-9597327-B2
优先权日:2005-05-25
标题:Synthesis of (R)-N-methylnaltrexone
发明人：DOSHAN HAROLD D; PEREZ JULIO
权利人:PROGENICS PHARM INC
摘要:This invention relates to stereoselective synthesis of R-MNTX and intermediates thereof, pharmaceutical preparations comprising R-MNTX or intermediates thereof and methods for their use.

专利号:US-2024208926-A1
优先权日:2021-03-24
标题:New process for the synthesis of 5-{5-chloro-2-[(3s)-3-[(morpholin-4-yl)methyl]-3,4-dihydroisoquinoline-2(1h)- carbonyl]phenyl}-1,2-dimethyl-1h-pyrrole-3-carboxylic acid derivatives and its application for the production of pharmaceutical compounds
发明人：PIN FRÃ‰DÃ‰RIC; PETHÃ– BÃ?LINT
权利人:SERVIER LAB; NOVARTIS AG
摘要:The present invention relates to a new process for preparing 5-{5-chloro-2-[(38)-3-[(morpholin-4-yl)methyl]-3.4-dihydr oisoquinoline-2(1H)-carbonyl]phenyl}-1,2-dimethyl-1/H-pyrrole-3-carboxylic acid derivatives and its application for the production of pharmaceutical compounds.

专利号:US-2024092787-A1
优先权日:2022-08-24
标题:Pharmaceutical process and intermediates
发明人：GRAHAM MARK ANDREW; CARNEY JONATHAN ROBERT; BISHOP THOMAS GEORGE; COOPER KATIE
权利人:ASTRAZENECA AB
摘要:There is provided a new and improved synthetic route for the synthesis of the compound 1-{2-[(1R)-1-aminoethyl]-4-chlorobenzyl}-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one (Formula (I)) that is readily scalable for commercial production.Also provided are important intermediate compounds that are formed in the new and improved synthetic route for the synthesis of the compound of formula (I).

专利号:KR-20230160303-A
优先权日:2021-03-24
标题:5-{5-chloro-2-[(3S)-3-[(morpholine-4-yl)methyl]-3, 4-dihydroisoquinoline-2(1H)-carbonyl]phenylï½?-1, Novel method for synthesis of 2-dimethyl-1H-pyrrole-3-carboxylic acid derivatives and their use for production of pharmaceutical compounds

专利号:WO-2022200444-A1
优先权日:2021-03-24
标题:New process for the synthesis of 5-{5-chloro-2-[(3n)-3- [(morpholin-4-yl)methyl]-3,4-dihydroisoquinoline-2(1h)- carbonyl]phenyl}-1,2-dimethyl-1h-pyrrole-3-carboxylic acid derivatives and its application for the production of pharmaceutical compounds

专利号:US-7674904-B2
优先权日:2005-05-25
标题 :Synthesis of R-N-methylnaltrexone

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合成参考文献

摘要:Gao, W.-C.; Tian, J., Science of Synthesis Knowledge Updates, (2020) 3, 252.
摘要:Silva, V. L. M.; Pinto, D. C. G. A.; Santos, C. M. M.; Rocha, D. H. A., Science of Synthesis Knowledge Updates, (2022) 3, 206.
摘要:Silva, V. L. M.; Pinto, D. C. G. A.; Santos, C. M. M.; Rocha, D. H. A., Science of Synthesis Knowledge Updates, (2022) 3, 380.
摘要:Hong, C.; Tovar, J. D., Science of Synthesis: Knowledge Updates, (2023) 2, 92.