CAS: 6925-00-4; Quinoxaline-6-Carboxylic Acid

该化合物是一种杂交循环化合物,其特点是在6点方位上有一个带有箱状酸功能组的五氧化二氮核心,这种结构在有机合成中具有多功能性,特别是作为制药,农用化学品和协调化学的一个构件.它的箱状酸组可以使蒸发,包括恐吓和洗涤,提高其在设计生物活性分子方面的效用.该化合物的硬性芳香框架有助于稳定性和可预测的再活动,使其在药用化学中具有价值,可以用于鱼颈的改变.高纯度可用于确保研究和工业应用的一致性.它与交叉组合反应的兼容性进一步扩大了其合成效用.

英文名称Quinoxaline-6-Carboxylic Acid
中文名称6-喹喔啉羧酸
IUPAC名称quinoxaline-6-carboxylic acid
其它别名6-喹喔啉甲酸; Quinoxaline-6-Carboxylic Acid
CAS编号6925-00-4
MFCD编号:MFCD01365834
EINECS号:623-529-4
分子式:C9H6N2O2
分子量:174.16
产品CID: 1687926
产品分类有机原料→分子砌块→芳杂环类化合物→喹噁啉类化合物

相似结构搜索
InChIKey: JGQDBVXRYDEWGM-UHFFFAOYSA-N
InChI=1S/C9H6N2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,(H,12,13)…
计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

相似化合物

130345-50-5 6924-72-7 23088-24-6

物理性质

熔点250°C
沸点355.1°C at 760 mmHg
闪点168.6±23.7 °C
密度1.4±0.1 g/cm3
pKa:3.22±0.30(预测)
PSA:63.08
LogP:1.328
折射率1.697
蒸汽压0.0±0.8 mmHg at 25°C
溶解性DMSO (Slightly), Methanol (Slightly, Sonicated)
外观形态浅棕色至深棕色固体
储存条件密封, 常温干燥保存
产品应用该化合物用于生产抗蛋白剂的中间体.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
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)
严重眼刺激类别2A
警示词Warning(警告)
危险描述H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H332 |吸入有害.
H312 |皮肤接触有害.
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
危险等级IRRITANT
危险品标志Xi
安全声明26
危险类别码36
WGK Germany3

欧盟法规

ECHA物质C&L通报

上下游产品

合成工艺路线路线简述

合成目标产物 6-Quinoxalinecarboxylic Acid 主要起始原料 Methyl 6-Quinoxalinecarboxylate
(文献来源)合成步骤主要原料 Methyl 6-Quinoxalinecarboxylate

3,4-二氨基苯甲酸乙酯置于氢氧化钾,水,Glyoxal Sodium Bisulfite体系中,化学反应生成 6-喹喔啉羧酸
参考文献:Birkofer; Widmann,Chemische Berichte,1953,Vol. 86,P. 1295,1301
标题:Birkofer; Widmann,Chemische Berichte,1953,Vol. 86,P. 1295,1301

海关参考信息

2905110000-甲醇
2906210000-苄醇
2912110000-甲醛
2912210000-苯甲醛
💡 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-2003092064-A1
优先权日:2001-04-05
标题 :System for the synthesis of spatially separated libraries of compounds and methods for the use thereof
发明人：READER JOHN C
权利人:MILLENNIUM PHARM INC
摘要:Featured is an apparatus useful for preparing combinatorial libraries of compounds in a parallel fashion so that the individual compounds of the library are spatially separate and the position of each compound of the library in the apparatus is known. Moreover, the apparatus is useful for the preparation of combinatorial libraries of compounds where the library is constructed from three or more building blocks, e.g., three, four, five, six or seven building blocks, resulting in a three, four, five, six or seven dimensional combinatorial library. Also featured are related methods for the preparation of three, four, five, six or seven dimensional combinatorial libraries of compounds using the apparatus of the present invention.

专利号:WO-9845272-A1
优先权日:1997-04-07
标题:Topoisomerase inhibitors
发明人：DEADY LESLIE WILLIAM; DENNY WILLIAM ALEXANDER; KAYE ANTHONY JAMES
权利人:UNIV LATROBE; DEADY LESLIE WILLIAM; DENNY WILLIAM ALEXANDER; KAYE ANTHONY JAMES
摘要:The invention provides a novel series of tetracyclic quinoline and quinoxaline carboxamides, bis compounds in which two of the tetracyclic compounds are joined by a linker, and pharmaceutically-acceptable salts and N-oxides thereof, which have the ability to inhibit topoisomerase activity. The compounds are active in vitro and in vivo against tumour cells. Methods of synthesis and pharmaceutical compositions are also claimed.