CAS: 1373038-63-1; 3-(4-(4-(Chlorosulfonyl)Phenyl)-5-Methylisoxazol-3-yl)Benzenesulfonyl Chloride

英文名称3-(4-(4-(Chlorosulfonyl)Phenyl)-5-Methylisoxazol-3-yl)Benzenesulfonyl Chloride
中文名称3-(4-(4-(氯磺酰基)苯基)-5-甲基异噁唑-3-基)苯磺酰氯
IUPAC名称3-(4-(4-(chlorosulfonyl)phenyl)-5-methylisoxazol-3-yl)benzenesulfonyl chloride
其它别名帕瑞昔布杂质34; 3-[4-[4-(氯磺酰基)苯基]-5-甲基-3-异恶唑基]苯磺酰氯; Valdecoxibimpurity34
CAS编号1373038-63-1
MFCD编号:MFCD30543697
分子式:C16H11Cl2NO5S2分子量:432.3
产品CID: 579650
产品分类有机原料→分子砌块→芳杂环类化合物→异噁唑类化合物

相似结构搜索
InChIKey: KDDCVZQQYUBTRK-UHFFFAOYSA-N
InChI=1S/C16H11Cl2NO5S2/c1-10-15(11-5-7-13(8-6-11)25(17,20)21)16(19-24-10)12-3-2-4-14(9-12)26(18,22)23/h2-9H,1H3
计算化学: 氢键受体数6.0氢键供体数0.0可旋转键数4.0

相似化合物

509074-26-4 386273-25-2 181695-72-7

MSDS等安全信息

上下游产品

5-methyl-3,4-diphenyl isoxazole 5-methyl-3,4-diphenyl-5-(pyrrolidin-1-yl)-4,5-dihydroisoxazole 1-(1-methyl-2-phenyl ethenyl)-pyrrolidine

合成工艺路线路线简述

📜5-甲基-3,4-二苯基异噁唑置于氯磺酸体系中,用二氯甲烷用作溶剂,化学反应生成3-[4-[4-(氯磺酰基)苯基]-5-甲基-3-异恶唑基]苯磺酰氯
参考文献:Application Of [3 + 2]-Cycloaddition In The Synthesis Of Valdecoxib
标题:Application Of [3 + 2]-Cycloaddition In The Synthesis Of Valdecoxib
摘要:A Large Scale Synthesis Of Valdecoxib 1 Is Described. Our Work Features Potential Application Of [3+2]-Dipolar Cycloaddition Involving Enamine And In Situ-Generated Nitrile Oxide Derivatives.
Doi:10.1080/00397911.2010.528572