CAS: 105191-41-1; 4-Chloro-3-Formylbenzonitrile

该化合物是一种多用途芳香化合物,在苯丙烯基骨上既含有氯,也含有气态功能组,其独特的结构使它成为有机合成的宝贵中间体,特别是在制药,农用化学品和特殊化学品的制作方面.用电淡化的硝酸盐和气态组增强了反应性,通过核生殖替代或凝聚反应促进进一步的功能化.氯代成分提供了更多的交叉或替代场所,扩大了其在热循环化学中的用途.该化合物的特点是高度纯度和稳定性,确保了合成应用的一贯性.其定义明确的再活性特征使得开发复杂分子结构的研究人员更愿意选择它.

英文名称4-Chloro-3-Formylbenzonitrile
中文名称4-氯-3-醛基苯腈
IUPAC名称4-chloro-3-formylbenzonitrile
其它别名2-氯-5-氰基苯甲醛; 4-Chloro-3-Formyl-Benzonitrile
CAS编号105191-41-1
MFCD编号:MFCD11035756
EINECS号:109-151-8
分子式:C8H4ClNO分子量:165.58
产品CID: 92314
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: JVRHVSUFKIQVFN-UHFFFAOYSA-N
InChI=1S/C8H4ClNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H
计算化学: 氢键受体数2.0氢键供体数*可旋转键数1.0

相似化合物

914106-36-8 2845-85-4 1261759-41-4

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(经口)
皮肤致敏类别1
警示词Warning(警告)
危险描述H302 |吞咽有害.
H317 |可能引起皮肤过敏反应.
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

欧盟法规

C&L通报

上下游产品

合成工艺路线路线简述

📜2-氯-5-氰基苯甲酸置于4-二甲氨基吡啶四氢吡咯,Potassium Tert-Butylate,N,N'-二环己基碳二亚胺,红铝体系中,用二氯甲烷,甲苯用作溶剂,化学反应 0.25H,反应生成4-氟-3-甲酰基苯腈
参考文献:Synthesis And In Vitro Antiprotozoal Activities Of Dicationic 3,5-Diphenylisoxazoles
标题:Synthesis And In Vitro Antiprotozoal Activities Of Dicationic 3,5-Diphenylisoxazoles
摘要:3,5-Bis(4-Amidinophenyl)Isoxazole (3)An Analogue Of 2,5-Bis(4-Amidinophenyl)Furan (Furamidine) In Which The Central Furan Ring Is Replaced By Isoxazoleand 42 Novel Analogues Were Prepared By Two General Synthetic Pathways. The 43 Isoxazole Derivatives Were Assayed Against Trypanosoma Brucei Rhodesiense (T. Brucei Rhodesiense) Stib900,Plasmodium Falciparum (P. Falciparum) K1,And Rat Myoblast L6 Cells (For Cytotoxicity) In Vitro. Eleven Compounds (3,13,16-18,22,26,29,31,37,And 41) Exhibited Antitrypanosomal Ic50 Values Less Than 10 Nm,Five Of Which Displayed Cytotoxic Indices (Ratios Of Cytotoxic Ic50 To Antiprotozoal Ic50 Values) At Least 10 Times Higher Than That Of Furamidine. Eighteen Compounds (4-8,12,14,18-22,25,26,28,29,32,And 43 Were More Active Against P. Falciparum Than Furamidine,With Ic50 Values Less Than 15 Nm. Fourteen Of These Compounds Had Cytotoxic Indices Ranging Between 10 And 120 Times Higher Than That Of Furamidine,And Five Analogues Exhibited High Selectivity For P. Falciparum Over T. Brucei Rhodesiense.
Doi:10.1021/jm0612867

专利信息

专利号:US-7951827-B2
优先权日:2005-05-05
标题:Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles
发明人：TIDWELL RICHARD R; BAKUNOVA SVETLANA M; BAKUNOV STANISLAV; PATRICK DONALD A
权利人:UNIV NORTH CAROLINA
摘要:Novel dicationic 3,5-diphenylisoxazole compounds are described. Synthetic routes to these novel compounds are provided. Several of the compounds displayed in vitro activity versus Trypanosoma brucei brucei and Plasmodium falciparum comparable to that of furamidine. A majority of the novel compounds also were less toxic to VERO cells than furamidine.

专利号:US-2006264487-A1
优先权日:2005-05-05
标题:Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles

专利号:EP-1719767-A1
优先权日:2005-05-05
标题:Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles

专利号:CA-2545778-A1
优先权日:2005-05-05
标题:Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles

专利号:CN-1869027-A
优先权日:2005-05-05
标题:Synthesis and Antiprotozoal Activity of Dicationic 3,5-Diphenylisoxazoles