CAS: 81045-39-8; 5,8-Dibromoisoquinoline

该化合物是一种溴化异丙醇衍生物,广泛用作有机合成和制药研究的多用途中间体. 它的主要优点包括:5和8个位置存在溴替代成分,因此具有高度的回活动性,从而能够产生有效的交叉反应,如铃木或布奇瓦尔德-哈特维格的灭绝. 化合物的僵硬芳香结构增强了其在构建复杂的热循环框架方面的效用. 它对于发展生物活性分子(包括动脉抑制剂和其他治疗剂)而言,在药用化学中特别有价值. 具有一贯的纯度和稳定性, 5,8-二溴基尼基诺线是先进化学应用的可靠基石.

英文名称5,8-Dibromoisoquinoline
中文名称5,8-二溴异喹啉
IUPAC名称5,8-dibromoisoquinoline
其它别名5,8-Dibromoisoquinoline
CAS编号81045-39-8
MFCD编号:MFCD03109888
EINECS号:687-940-0
分子式:C9H5Br2N
分子量:286.95
产品CID: 1804896
产品分类有机原料→分子砌块→芳杂环类化合物→异喹啉类化合物

相似结构搜索
InChIKey: KNBALCRXZUTMBP-UHFFFAOYSA-N
InChI=1S/C9H5Br2N/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H…
计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数0.0

相似化合物

63927-22-0 34784-04-8 223671-10-1

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
急性毒性类别4(经口)
警示词Warning(警告)
危险描述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.
H302 |吞咽有害.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险品标志Xi
风险等级Irritant

欧盟法规

ECHA物质C&L通报

上下游产品

isoquinoline isoquinoline(+)-(10bR)-1,2,3,5,6,10b-Hexahydropyrrolo-2,1-aisoquinoline 1,2,3,4-tetrahydro-1-(2-phenetyl)isoquinoline 2-(2-fluoro-phenyl)-4-[8-(1-methyl-1H-pyrazol-4-yl)-isoquinolin-5-yl]-[1,8]naphthyridine

合成工艺路线路线简述

1125-60-6 = 81045-39-8 [标题:Reaction Conditions
标题:Product Class 5: Isoquinolines
作者:Alvarez,M.; Et Al
参考文献:Science Of Synthesis 日期:2005 卷标:15 页码:661-838]

607-32-9 = 81045-39-8 [标题:Reaction Conditions
标题:Product Class 5: Isoquinolines
作者:Alvarez,M.; Et Al
参考文献:Science Of Synthesis 日期:2005 卷标:15 页码:661-838]

54879-74-2 = 81045-39-8 [标题:Reaction Conditions
标题:Product Class 5: Isoquinolines
作者:Alvarez,M.; Et Al
参考文献:Science Of Synthesis 日期:2005 卷标:15 页码:661-838]

95-13-6 = 81045-39-8 [标题:Reaction Conditions
标题:Product Class 5: Isoquinolines
作者:Alvarez,M.; Et Al
参考文献:Science Of Synthesis 日期:2005 卷标:15 页码:661-838]

119-65-3 = 81045-39-8
反应条件:1.1 Reagents: Sulfuric Acid; 0 °C; 0 °C -> -25 °C1.2 Reagents: N-Bromosuccinimide; 1.5 H,-25 - -20 °C; 1 H,-25 - -20 °C; -25 °C -> Rt1.3 Reagents: Ammonia Solvents: Water; 1 H,Ph 7,0 °C
标题:One Substrate,Two Modes Of C-H Functionalization: A Metal-Controlled Site-Selectivity Switch In C-H Arylation Reactions
作者:Tiwari,Virendra Kumar; Et Al
参考文献:Organic Letters 日期:2017 卷标:19(1) 页码:262-265]

119-65-3 = 81045-39-8
反应条件:1.1 Reagents: N-Bromosuccinimide,Sulfuric Acid; -25 - -20 °C; 1 H,-25 - -20 °C; 1 H,Rt1.2 Reagents: Water; Cooled1.3 Reagents: Ammonia; Ph 8
标题:Red Emissive Organic Light-Emitting Diodes Based On Codeposited Inexpensive Cui Complexes
作者:Ni,Tianchi; Et Al
参考文献:Journal Of Materials Chemistry C: Materials For Optical And Electronic Devices 日期:2015 卷标:3(22) 页码:5835-5843]

34784-04-8 = 81045-39-8 [标题:Reaction Conditions
标题:Product Class 5: Isoquinolines
作者:Alvarez,M.; Et Al
参考文献:Science Of Synthesis 日期:2005 卷标:15 页码:661-838]

120347-68-4 = 81045-39-8 [标题:Reaction Conditions
标题:Product Class 5: Isoquinolines
作者:Alvarez,M.; Et Al
参考文献:Science Of Synthesis 日期:2005 卷标:15 页码:661-838]

643-79-8 + 157251-21-3 = 81045-39-8 [标题:Reaction Conditions
标题:Product Class 5: Isoquinolines
作者:Alvarez,M.; Et Al
参考文献:Science Of Synthesis 日期:2005 卷标:15 页码:661-838]

17954-26-6 = 81045-39-8 [标题:Reaction Conditions
标题:Product Class 5: Isoquinolines
作者:Alvarez,M.; Et Al
参考文献:Science Of Synthesis 日期:2005 卷标:15 页码:661-838]

25705-34-4 = 81045-39-8 [标题:Reaction Conditions
标题:Product Class 5: Isoquinolines
作者:Alvarez,M.; Et Al
参考文献:Science Of Synthesis 日期:2005 卷标:15 页码:661-838]

862845-46-3 = 81045-39-8 [标题:Reaction Conditions
标题:Product Class 5: Isoquinolines
作者:Alvarez,M.; Et Al
参考文献:Science Of Synthesis 日期:2005 卷标:15 页码:661-838]

101640-48-6 = 81045-39-8 [标题:Reaction Conditions
标题:Product Class 5: Isoquinolines
作者:Alvarez,M.; Et Al
参考文献:Science Of Synthesis 日期:2005 卷标:15 页码:661-838]

= 81045-39-8 [标题:Reaction Conditions
标题:Product Class 5: Isoquinolines
作者:Alvarez,M.; Et Al
参考文献:Science Of Synthesis 日期:2005 卷标:15 页码:661-838

异喹啉置于n-溴代丁二酰亚胺(Nbs),硫酸体系中,化学反应 4.0H,以78%的收率获得产物5,8-二溴异喹啉
参考文献:一种底物,Ch官能化的两种模式:Ch芳基化反应中的金属控制的位点选择性开关
标题:一种底物,Ch官能化的两种模式:Ch芳基化反应中的金属控制的位点选择性开关
摘要:在钌催化的n-乙酰基1,2,2-二氢异喹啉的c-h芳基化反应中,已经实现了独特的位点选择性转换.这种金属介导的开关与先前报道的在同一基质上钯介导的c-4 C-h芳基化反应相反.机理细节揭示了反应途径的有趣方面,动力学研究揭示了两种催化体系采用的c-h活化方式的差异.
DOI:10.1021/acs.Orglett.6B03558

海关参考信息

2933310010-吡啶
2939800000-其他生物碱
💡 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-6500954-B1
优先权日:1998-06-22
标题:Synthesis of 5- or 8-bromoisoquinoline derivatives
发明人：GOULIAEV ALEX HAAHR; HANSEN WILLIAM
权利人:NEUROSEARCH AS
摘要:The present invention is directed to a method of preparing bromoisoquinoline derivatives, in particular 5- or 8-bromoisoquinoline derivatives. Bromoisoquinoline derivatives, and in particular 5-bromoisoquinoline and 5-bromo-8-nitroisoquinoline derivatives, are key intermediates in the synthesis of pharmaceutical compounds.

专利号:US-10125226-B2
优先权日:2013-06-05
标题 :Scale-up process of bifunctionalized triblock copolymers with secondary and tertiary amines, with application in dewatering and desalting of heavy crude oils
发明人：FLORES SANDOVAL CESAR ANDRES; FLORES OROPEZA EUGENIO ALEJANDRO; LOPEZ ORTEGA ALFONSO; HERNANDEZ CORTEZ JOSE GONZALO; ESTRADA BUENDIA ARISTEO; CASTRO SOTELO LAURA VERONICA; REYES MARTINEZ REYNA; ALVAREZ RAMIREZ FERNANDO; ESTRADA MARTINEZ ARQUIMEDES; VAZQUEZ MORENO FLAVIO SALVADOR
权利人:MEXICANO INST PETROL
摘要:A chemical synthesis process is provided for the functionalization of monodispersed triblock copolymer (POEw-POPy-POEw) with secondary or tertiary amines at a semi-industrial level in glass reactors having a capacity between 1 L and 100 L. The process includes two stages where the first stage uses an alkylsulfonyl or arylsulfonyl chloride to obtain better leaving groups, and the second stage is the nucleophilic substitution with secondary or tertiary amines, to obtain the bifunctionalized triblock copolymers. The main advantage for this process is to reduce the quantity of unitary process done in each stage, the optimization of reaction times, and the stoichiometric relationships.

专利号:US-9752084-B2
优先权日:2013-02-26
标题 :Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes
发明人：FLORES OROPEZA EUGENIO ALEJANDRO; FLORES SANDOVAL CESAR ANDRES; REYES MARTINEZ REYNA; HERNANDEZ CORTEZ JOSE GONZALO; LOPEZ ORTEGA ALFONSO; CASTRO SOTELO LAURA VERONICA; ALVAREZ RAMIREZ FERNANDO; ESTRADA MARTINEZ ARQUIMEDES; VAZQUEZ MORENO FLAVIO SALVADOR
权利人:MEXICANO INST PETROL
摘要:The present invention is related to formulations consisting by block copolymers Î±,Ï‰-di-aryl or alkyl sulfonates of poly(ethylene oxide) w -poly(propylene oxide)-poly(ethylene oxide) w of bis-ammonium and block copolymers Î±,Ï‰-di-amine of poly(ethylene oxide) w -poly(propylene oxide)-poly(ethylene oxide) w , that are effective in the dewatering and desalting crude whose specific gravities are within the range of 14 to 23Â° API.

专利号:DE-69911603-T2
优先权日:1998-06-22
标题:SYNTHESIS OF 5- OR 8-BROMOISOQUINOLINE DERIVATIVES

专利号:US-2017327686-A1
优先权日:2013-02-26
标题:Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes

专利号:US-10167388-B2
优先权日:2013-02-26
标题 :Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes