CAS: 1489-53-8; 1,2,3-Trifluorobenzene

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392-56-3 551-62-2 363-72-4

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六氟苯置于dichloro(Pentamethylcyclopentadienyl)Rhodium (III) Dimer,(Hc[(Cme)N(2,4,6-Me3C6H2)]2)Alh2体系中,用 氘代苯,苯 用作溶剂,化学反应 20.0H,反应生成1,2,3-三氟苯
参考文献:Rhodium Catalyzed,Carbon-hydrogen Bond Directed Hydrodefluorination Of Fluoroarenes
标题:Rhodium Catalyzed,Carbon-hydrogen Bond Directed Hydrodefluorination Of Fluoroarenes
摘要:[cp*rhcl(Mu-Cl)](2) Is Reported As A Highly Efficient And Selective Precatalyst For The Hydrodefluorination Of Perfluoroarenes Using A Hydrocarbon-Soluble Aluminum Dihydride As The Terminal Reductant. Reactions Are Directed To Cleave A C-F Bond Adjacent To An Existing C-H Bond With High Regioselectivity (98.5-99%). A Heterobimetallic Complex Containing An Extremely Rare Al-H-Rh Functional Group Has Been Isolated And Shown To Be Catalytically Competent.
Doi:10.1021/om501113J

专利信息

专利号:US-2024035023-A1
优先权日:2022-06-24
标题 :Computer implemented method for engineering fluorinase enzymes for synthesis of fluorophenyl compounds
发明人：R PRAVIN KUMAR; G GLADSTONE SIGAMANI; L ROOPA; B K NAVEEN; SHETTY ANUJ J; M LIKITH
权利人:KCAT ENZYMATIC PRIVATE LTD
摘要:The present invention discloses a computer-implemented method for engineering fluorinase enzymes towards the synthesis of fluorophenyl compounds. Limited or no mechanistic details of fluorinase enzymes have hindered progress in understanding their catalytic mechanisms for synthesizing synthetic organofluorine compounds. Through a comprehensive computational screening process, specific methionine-sulfonium phenyl substrates, including [(3S)-3-amino-3-carboxypropyl][2,5-difluoro-4-(4-methoxy-2,4-dioxobutyl)phenyl]methylsulfonium, were designed and optimized using quantum chemical optimization techniques. This methodology uncovers crucial information on F— ion attack conformation and the catalytic mechanism of the substrate, leading to the formation of Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate. Furthermore, a protein sequence and 3D modeling-based enzyme screening process was employed to identify the most suitable enzyme for this substrate. The identified enzyme was then engineered using the mechanistic insights gained from the studies, resulting in improved substrate scope, stability and catalytic efficiency. This computer-based approach offers an efficient and precise alternative to traditional trial-and-error methods, advancing the field towards the successful synthesis fluorophenyl compounds.

专利号:US-2010016607-A1
优先权日:2006-12-11
标题:Process for the Synthesis of Highly Active Binary Metal Fluoride as a Fluorinating Agent for Aromatics
发明人：DOLBIER JR WILLIAM R; JANMANCHI KRISHNA MURTHY
权利人:UNIV FLORIDA
摘要:The subject invention relates to a process for the synthesis of highly active binary metal fluoride system for the fluorination of aromatic compounds. Fluorinated aromatic compounds are valuable synthons for the chemical synthesis of pharmaceutical drugs and novel polymers. Fluorobenzene is used to control carbon content in steel manufacturing, is an intermediate for pharmaceuticals, pesticides and other organic compounds. Fluorobenzene is typically produced by the reaction of aniline and sodium nitrite in the presence of hydrogen fluoride. The present invention relates to a process for the synthesis of highly active binary metal fluoride system consists of copper (II) fluoride and aluminum (III) fluoride for the fluorination of aromatic compounds in gas phase and recycling of the reagent, in situ, using O 2 and HF.

专利号:US-2013184465-A1
优先权日:2010-09-30
标 题:Process for the synthesis of thio-triazolo-group containing compounds
发明人：DOCHNAHL MAXIMILIAN; KEIL MICHAEL; GEBHARDT JOACHIM; VOGELBACHER UWE JOSEF; RACK MICHAEL
权利人:DOCHNAHL MAXIMILIAN; KEIL MICHAEL; GEBHARDT JOACHIM; VOGELBACHER UWE JOSEF; RACK MICHAEL; BASF SE
摘要:The present invention relates to a process using specific magnesium reagents for providing thio-triazolo group-containing compounds and for the synthesis of precursors therefor. The invention furthermore relates to intermediates and to their preparation.

专利号:US-2023295162-A1
优先权日:2020-08-06
标 题 :Synthesis of novel imipridone derivatives and their evaluation for their anticancer activity
发明人：CSÃ?MPAI ANTAL; BÃ?RÃ?NY PÉTER; CZUCZI TAMÃ?S; Kovács Imre; ADAMIS BÃ?LINT; NÉMETH ZSÓFIA; MURÃ?NYI JÓZSEF; OLÃ?HNÉ SZABÓ RITA; BOSZE SZILVIA; MEZO GÃ?BOR; KOHIDAI LÃ?SZLÓ; LAJKÓ ESZTER; TAKÃ?CS ANGÉLA; Láng Orsolya; MEZO DIÃ?NA
权利人:EOETVOES LORAND TUDOMANYEGYETEM; SEMMELWEIS EGYETEM
摘要:The present invention relates to compounds of formula (I) (I) or pharmaceutically acceptable salts, and stereoisomers thereof, including enantiomers, racemic mixtures, mixtures of enantiomers, or combinations thereof, which are applicable for use in treating cancer diseases. The present invention further relates to a pharmaceutical composition comprising the above compounds.

专利号:US-10913747-B2
优先权日:2017-07-04
标题 :Efficient process for the preparation of sitagliptin through a very effective preparation of the intermediate 2,4,5-trifluorophenylacetic acid
发明人：DE LUCCHI OTTORINO; PADOVAN PIERLUIGI; BRASOLA ELENA
权利人:FIS FABBRICA ITALIANA SINTETICI SPA; F I S —FABBRICA ITALIANA SINTETICI S P A
摘要:Object of the present invention is an efficient process for the preparation of the active pharmaceutical ingredient Sitagliptine and the 2,4,5-trifluorophenylacetic acid (TFAA) and salt thereof, which is a key intermediate for the synthesis of Sitagliptine.

专利号:US-8735391-B2
优先权日:2008-09-26
标 题 :Synthesis of functionalized octahydro-isoquinolin-1-one-8-carboxamides, octahydro-isoquinolin-1-one-8-carboxylic esters and analogs, and therapeutic methods
发明人：AUBE JEFFREY; ROTH BRYAN L; GHOSH PARTHA; FRANKOWSKI KEVIN J
权利人:AUBE JEFFREY; ROTH BRYAN L; GHOSH PARTHA; FRANKOWSKI KEVIN J; UNIV KANSAS
摘要:A functionalized polycyclic compound can have a structure of Formula 1 or salt, prodrug, analog, or derivative thereof, which compound can be prepared by providing a diene; reacting the diene with a dienophile under sufficient conditions for a combined Diels-Alder/acylation reaction so as to provide a polycyclic compound having a carboxylic acid; and coupling the carboxylic acid with an amine-containing compound or a hydroxyl-containing compound so as to form an amide or an ester and producing a compound having a structure of Formula 1. The compound can be used for modulating an opioid receptor, which can be conducted by administering to an opioid receptor a functionalized polycyclic compound as described herein in an effective amount to modulate the functionality of the opioid receptor. Such opioid modulation can provide a biological benefit to a subject.