CAS: 4198-90-7; 4-Hydroxy-3,5-Dimethylbenzonitrile

相似化合物

2233-18-3 4919-37-3 15777-70-5

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📜4-氨基-3,5-二甲基苯氰置于硫酸,水,Sodium Nitrite体系中,用 水 作为反应溶剂,化学反应 1.5H,以28%的收率获得产物3,5-二甲基-4-羟基苯甲腈
参考文献:机械的洞察力[1,3]-热克莱森重排中的迁移.
标题:机械的洞察力[1,3]-热克莱森重排中的迁移.
摘要:借助b3Lyp函数的密度泛函理论(dft)计算,对烯丙基芳基醚的热形式[1,3]-σ位移进行了深入的实验研究.先前已经提出了三种机制的可能性,分别称为自由基,离子和协同机制,以解释热[1,3]重排过程.但是,交叉和自由基捕获实验表明重排是分子内过程.计算研究表明,协调的c [1,3]-σ位移受较高的能垒的影响,可以在所使用的条件下进行重排.但是,串联的o [1,3]-σ位移与氧原子和[3,3]-正移(claisen重排)是形式上[1,3]重排的最可能途径.此外,使用设计的光学活性基板和o [1,3]-σ位移示例进行的重排实验验证了新的级联重排.此外,计算和实验研究表明,水分子有助于异构化过程中的质子移动.组合方法为claisen重排中的热形式[1,3]迁移机理以及新颖的o [1,3]-σ位移提供了新的见解.计算和实验研究表明,水分子有助于异构化过程中的质子移动.组合方法为claisen重排中的热形式[1
DOI:10.1021/jo302210T

专利信息

专利号:US-2015336900-A1
优先权日:2012-10-29
标题 :Process for the Synthesis of Etravirine and Its Intermediates
发明人：PULLAGURLA MANIK REDDY; RANGISETTY JAGADEESH BABU; NANDAKUMAR MECHERIL VALSAN
权利人:BIOPHORE INDIA PHARMACEUTICALS PVT LTD
摘要:The invention discloses the synthesis of Etravirine via intermediate 4-((4-amino-5-bromo-6-chloropyrimidin-2-yl) amino)benzonitrile and process for the preparation of Etravirine of the formula-I.

专利号:UA-106972-C2
优先权日:2009-06-22
标题 :METHOD FOR SYNTHESIS OF DIARYL-PYRIMIDINE NON-NUCLEOSIDE INHIBITOR OF REVERSE TRANSCRIPTASIA

专利号:JP-2012509314-A
优先权日:2009-06-22
标 题:Method for the synthesis of diarylpyrimidine non-nucleoside reverse transcriptase inhibitors

专利号:US-2013123498-A1
优先权日:2011-10-19
标 题 :Process for the preparation of etravirine and intermediates in the synthesis thereof
发明人：MAJER MAJA SEPELJ; KRIZMANIC IRENA; VRBANEC GORDANA
权利人:MAJER MAJA SEPELJ; KRIZMANIC IRENA; VRBANEC GORDANA
摘要:The present invention includes compounds of Formula 1 of the following structure: n n n n n n n n n n or salts thereof, wherein X is a halogen or a tosyl group. Processes for preparing the compounds of Formula 1 are disclosed in the patent application. The compounds of Formula 1 are useful as intermediates for preparation of Etravirine. The present invention is also directed toward processes for preparing Etravirine.

专利号:RU-2011129982-A
优先权日:2009-06-22
标 题:METHOD FOR SYNTHESIS OF DIARYL-PYRIMIDINE NON-NUCLEOSIDE INHIBITOR OF REVERSE TRANSCRIPTASE

专利号:WO-2012170647-A1
优先权日:2011-06-09
标题 :Process for the preparation of etravirine and intermediates in the synthesis thereof
发明人：SEPELJ MAJER MAJA; KRIZMANIC IRENA; SEPAC DRAGAN
权利人:ASSIA CHEM IND LTD; TEVA PHARMA; SEPELJ MAJER MAJA; KRIZMANIC IRENA; SEPAC DRAGAN
摘要:The present patent application provides intermediates, e.g., 4-(6-(acetylamino)-2- chloropyrimidin-4-yloxy)-3,5-dimethylbenzonitrile, for preparing Etravirine or the salts of Etravirine, and processes for preparing Etravirine or its salts as disclosed in the specification herein. The application also provides processes for preparing 4-(6-(acetylamino)-2- chloropyrimidin-4-yloxy)-3,5-dimethylbenzonitrile.