CAS: 875548-97-3; {2-[4-Fluoro-2-Methoxy-5-(Propan-2-yl)Phenyl]-5-(Trifluoromethyl)Phenyl}Methanol

该化合物是一种含氟芳香醇,含有三氟甲基组和异丙基替代甲基氧苯基混合物,其独特的结构具有高亲脂性和代谢稳定性,使其作为制药和农用化学合成的中间体具有价值;氟和三氟甲基组的存在增强了结合性和生物利用率,而甲基氧和异丙基子成分则有助于消毒和电子调制.这一化合物对于生物活性分子的开发特别有用,包括酶抑制剂或感应调节器,在这种分子的精确结构调整至关重要.其合成多功能化有助于进一步实现功能化,支持各种研究应用.

结构式图片

欧盟法规

ECHA物质C&L通报

上下游产品

[4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid (2-chloro-5-(trifluoromethyl)phenyl)methanol [2-iodo-5-(trifluoromethyl)phenyl]methanol 2-(bromomethyl)-1-iodo-4-(trifluoromethyl)benzene 2'-(chloromethyl)-4-fluoro-5-isopropyl-2-methoxy-4'-(trifluoromethyl)biphenyl 2'-(bromomethyl)-4-fluoro-2-methoxy-5-(propan-2-yl)-4'-(trifluoromethyl)biphenyl (+)-(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4,4-dimethyl-1,3-oxazolidin-2-one (-)-(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4,4-dimethyl-1,3-oxazolidin-2-one

合成工艺路线路线简述

  • 1370452-47-3 = 875548-97-3
    反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 0 °C; Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; 0 °C
    标题:Pd-Catalysed Direct C(Sp2)-H Fluorination Of Aromatic Ketones: Concise Access To Anacetrapib
    作者:Wu,Qiuzi; Et Al
    参考文献:Chemical Communications (Cambridge 日期:2021 卷标:57(37) 页码:4544-4547]

    875446-29-0 + 702641-05-2 = 875548-97-3
    反应条件:1.1 Reagents: Sodium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Ethanol,Benzene,Water; 24 H,Reflux
    标题:Biphenyl-Substituted Oxazolidinones As Cholesteryl Ester Transfer Protein Inhibitors: Modifications Of The Oxazolidinone Ring Leading To The Discovery Of Anacetrapib
    作者:Smith,Cameron J.; Et Al
    参考文献:Journal Of Medicinal Chemistry 日期:2011 卷标:54(13) 页码:4880-4895]

    958029-47-5 = 875548-97-3
    反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Tetrahydrofuran; Rt; 45 Min,62 °C; 62 °C -> 0 °C1.2 Reagents: Sodium Borohydride Solvents: Water; 55 Min,< 22 °C; 17 H,Rt; Rt -> 0 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; 1 H,0 - 4 °C; 0 °C -> Rt1.4 Solvents: Methanol; 1 H,Rt1.5 Solvents: Water; 1 H,Rt
    标题:Preparative Scale Synthesis Of The Biaryl Core Of Anacetrapib Via A Ruthenium-Catalyzed Direct Arylation Reaction: Unexpected Effect Of Solvent Impurity On The Arylation Reaction
    作者:Ouellet,Stephane G.; Et Al
    参考文献:Journal Of Organic Chemistry 日期:2011 卷标:76(5) 页码:1436-1439
间三氟甲基苯腈置于[rucl2(Benzene)]2,Potassium Phosphate,Potassium Acetate,N,N-二异丙基乙胺,氯甲酸甲酯,三苯基膦,Calcium Chloride体系中,用 四氢呋喃,N-甲基吡咯烷酮,5,5-Dimethyl-1,3-Cyclohexadiene 作为反应溶剂,化学反应 79.75H,反应生成 4'-氟-2'-甲氧基-5'-异丙基-4-(三氟甲基)-联苯-2-甲醇
参考文献: Synthesis Of Intermediates For Preparing Anacetrapib And Derivatives Thereof[fr] Synthèse D'Intermédiaires Pour Préparer L'Anacetrapib Et Ses Dérivés
标题: Synthesis Of Intermediates For Preparing Anacetrapib And Derivatives Thereof[fr] Synthèse D'Intermédiaires Pour Préparer L'Anacetrapib Et Ses Dérivés
摘要:本发明涉及有机化学领域,更具体地涉及合成中间化合物,这些化合物可用于合成药用活性剂,如阿那曲班或其衍生物.

海关参考信息

专利信息


专利号:WO-2013091696-A1
优先权日:2011-12-21
标题 :Synthesis of intermediates for preparing anacetrapib and derivatives thereof
发明人:HUMLJAN JAN; MARAS NENAD
权利人:LEK PHARMACEUTICALS; HUMLJAN JAN; MARAS NENAD
摘要:The present invention relates to the field of organic chemistry, more specifically to the synthesis of intermediate compounds which can be used in the synthesis of pharmaceutically active agents such as anacetrapib or derivatives thereof.

专利号:EP-2468735-A1
优先权日:2010-12-23
标 题:Synthesis of intermediates for preparing anacetrapib and derivates thereof
权利人:LEK PHARMACEUTICALS
摘要:The present invention relates to the field of organic chemistry, more specifically to the synthesis of intermediate compounds which can be used in the synthesis of pharmaceutically active agents such as anacetrapib or derivatives thereof.

专利号:US-9212118-B2
优先权日:2010-12-23
标题:Synthesis of intermediates for preparing anacetrapib and derivatives thereof
发明人:HUMLJAN JAN; MARAS NENAD
权利人:HUMLJAN JAN; MARAS NENAD; LEK PHARMACEUTICALS
摘要:The present invention relates to the field of organic chemistry, more specifically to the synthesis of intermediate compounds which can be used in the synthesis of pharmaceutically active agents such as anacetrapib or derivatives thereof.

专利号:US-10300471-B2
优先权日:2013-10-08
标题 :Ruthenium-catalyzed synthesis of biaryl compounds in water
发明人:KOOHANG ALI AIDEN; MEHTA ANITA
权利人:CHICAGO DISCOVERY SOLUTIONS LLC
摘要:Using a [RuCl 2 (arene)] 2 complex and a formate source, a directed ortho C—H insertion and aryl-aryl coupling sequence in water provides biaryl compounds useful in the preparation of biologically active molecules and intermediates. Reactions may be conducted in the ambient atmosphere. Ruthenium catalysts prepared from [RuCl 2 (arene)] 2 and a formate source may be prepared in situ or isolated for later use.

专利号:EP-2655348-A1
优先权日:2010-12-23
标 题 :Synthesis of intermediates for preparing anacetrapib and derivatives thereof

专利号:US-2016263565-A1
优先权日:2013-10-08
标题:Ruthenium-catalyzed synthesis of biaryl compounds in water
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主要参考文献

参考标题: Synthesis Of Intermediates For Preparing Anacetrapib And Derivatives Thereof Synthèse D'Intermédiaires Pour Préparer L'Anacétrapib Et Ses Dérivés
摘要:The Present Invention Relates To The Field Of Organic Chemistry, More Specifically To The Synthesis Of Intermediate Compounds Which Can Be Used In The Synthesis Of Pharmaceutically Active Agents Such As Anacetrapib Or Derivatives Thereof.

合成参考文献


摘要:Seki, M., Science of Synthesis: Catalytic Transformations via CH Activation, (2015) 1, 148.
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