3,5-bis-tert-butylcarbamoyl-phenol | 866959-41-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,5-bis-tert-butylcarbamoyl-phenol
• 英文别名: N,N'-di-tert-butyl-5-hydroxy-isophthalamide；1-N,3-N-ditert-butyl-5-hydroxybenzene-1,3-dicarboxamide
• CAS: 866959-41-3
• 化学式: C₁₆H₂₄N₂O₃
• 分子量: 292.378
• InChiKey: IYLLWRVMUZSSRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,4-二溴丁烷 、 3,5-bis-tert-butylcarbamoyl-phenol 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以73%的产率得到5-(4-bromobutoxy)-N1,N3-di-tert-butylisophthalamide
  参考文献：
  名称：

  Redox-responsive morphology transformation of self-assembled nanostructures based on thiol-disulfide interconversion

  摘要：

  One dimensional (1D) nanotubes and three dimensional (3D) flowerlike supernanostructures were transformed reversibly, which was controlled by the oxidation and reduction cycle of aromatic diamide-derived thiol 1 and disulfide 2, as evidenced by SEM study. Their self-assembling patterns were investigated by UV-vis, H-1 NMR, X-ray crystallographic, and powder X-ray diffraction experiments. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.063
• 作为产物：
  描述：

  N1,N3-bis(1,1-dimethylethyl)-5-(phenylmethoxy)-1,3-benzenedicarboxamide 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 50.0 ℃ 、101.33 kPa 条件下， 以99%的产率得到3,5-bis-tert-butylcarbamoyl-phenol
  参考文献：
  名称：

  Redox-responsive morphology transformation of self-assembled nanostructures based on thiol-disulfide interconversion

  摘要：

  One dimensional (1D) nanotubes and three dimensional (3D) flowerlike supernanostructures were transformed reversibly, which was controlled by the oxidation and reduction cycle of aromatic diamide-derived thiol 1 and disulfide 2, as evidenced by SEM study. Their self-assembling patterns were investigated by UV-vis, H-1 NMR, X-ray crystallographic, and powder X-ray diffraction experiments. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.063

文献信息

• Non-nucleoside reverse transcriptase inhibitors
  申请人：Sweeney Zachary Kevin

  公开号：US20080249151A1

  公开（公告）日：2008-10-09

  Compounds of formula I, wherein R 1 , R 2 , R 3 , R 4 , R 5 , X, Y, and Ar are as defined herein or pharmaceutically acceptable salts thereof, inhibit HIV-1 reverse transcriptase and afford a method for prevention and treatment of HIV-1 infections and the treatment of AIDS and/or ARC. The present invention also relates to compositions containing compounds of formula I useful for the prevention and treatment of HIV-1 infections and the treatment of AIDS and/or ARC.

  式I的化合物，其中R1、R2、R3、R4、R5、X、Y和Ar如本文所定义或其药学上可接受的盐，抑制HIV-1逆转录酶，并提供一种预防和治疗HIV-1感染以及治疗艾滋病和/或ARC的方法。本发明还涉及含有式I化合物的组合物，用于预防和治疗HIV-1感染以及治疗艾滋病和/或ARC。
• Process for preparing pyridazinone compounds
  申请人：Kertesz John Denis

  公开号：US20050234236A1

  公开（公告）日：2005-10-20

  The present invention provides a process for the preparation 6-[3-(hetero)aryloxy-2-fluoro-benzyl]-2H-pyridazin-3-one compounds 1 where R2 is an optionally substituted aryl or an optionally substituted heteroaryl, R 6 is NO 2 , NH 2 , alkyl, halogen, or a function group readily derived therefrom and R 4c is hydrogen or alkyl. There also is provided a process for the preparation of phenylacetic acid compounds 2, wherein R 2 and R 6 are as defined previously and R 5a is hydrogen or alkyl, which are useful for the preparation of pyridazinone compounds.

  本发明提供了一种制备6-[3-(杂)芳氧基-2-氟苯甲基]-2H-吡啶嗪-3-酮化合物1的方法，其中R2为可任选取代的芳基或可任选取代的杂芳基，R6为NO2、NH2、烷基、卤素或易于由此衍生的功能团，R4c为氢或烷基。本发明还提供了一种制备苯乙酸化合物2的方法，其中R2和R6如前所述定义，R5a为氢或烷基，这些化合物对于制备吡啶嗪酮化合物是有用的。
• [EN] PROCESS FOR PREPARING PYRIDAZINONE COMPOUNDS<br/>[FR] PROCEDE DE PREPARATION DE COMPOSES A BASE DE PYRIDAZINONE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005100323A1

  公开（公告）日：2005-10-27

  The present invention provides a process for the preparation 6-[3-(hetero)aryloxy-2-­fluoro-benzyl] -2H-pyridazin-3-one compounds of formula VIII wherein R2 is an optionally substituted aryl or an optionally substituted heteroaryl, X is C1-6 alkyl, halogen, or a function group readily derived therefrom and R5 is H, C02R5a or formula C; R5a is hydrogen or C1-6 alkyl; R4c is hydrogen or C1-6 alkyl.

  本发明提供了一种制备公式VIII中6-[3-(杂)芳氧基-2-氟苯基]-2H-吡啶并[3,2-c][1,2,4]三唑-3-酮化合物的方法，其中R2是可选取代芳基或可选取代杂环芳基，X是C1-6烷基，卤素或易于从中派生的功能基团，R5是H，C02R5a或公式C; R5a是氢或C1-6烷基; R4c是氢或C1-6烷基。
• Process for preparing 3-aryloxy-phenylacetic acid compounds
  申请人：Roche Palo Alto LLC

  公开号：US07291729B2

  公开（公告）日：2007-11-06

  The present invention provides a process for the preparation of phenylacetic acid compounds 2 where R2 is an optionally substituted aryl, R6 is NO2, NH2, alkyl, halogen, or a function group readily derived there from and R4a is hydrogen C1-6 alkyl, tert-butyl or benzyl The compounds of formula 2a are useful intermediates for the preparation of HIV reverse transcriptase inhibitors

  本发明提供了一种制备苯乙酸化合物2的方法，其中R2是可选取代的芳基，R6是NO2，NH2，烷基，卤素或可从中轻松得到的功能基团，R4a是氢C1-6烷基，叔丁基或苄基。式2a的化合物是制备HIV逆转录酶抑制剂的有用中间体。
• Phenylacetic acid compounds
  申请人：Kertesz John Denis

  公开号：US20080108810A1

  公开（公告）日：2008-05-08

  The present invention provides a process for the preparation 6-[3-(hetero)aryloxy-2-fluoro-benzyl]-2H-pyridazin-3-one compounds 1 where R2 is an optionally substituted aryl or an optionally substituted heteroaryl, R 6 is NO 2 , NH 2 , alkyl, halogen, or a function group readily derived therefrom and R 4c is hydrogen or alkyl. There also is provided a process for the preparation of phenylacetic acid compounds 2, wherein R 2 and R 6 are as defined previously and R 5a is hydrogen or alkyl, which are useful for the preparation of pyridazinone compounds.

  本发明提供了一种制备6-[3-(杂)芳氧基-2-氟苯基]-2H-吡啶并[3,2-c][1,2,4]三唑-3-酮化合物1的方法，其中R2是可选取代的芳基或可选取代的杂环基，R6是NO2、NH2、烷基、卤素或可由其轻松衍生的官能团，R4是氢或烷基。本发明还提供了一种制备苯乙酸化合物2的方法，其中R2和R6如前所定义，R5是氢或烷基，这些化合物对于制备吡啶并酮化合物是有用的。