3-(tert-butoxy)phenol | 69374-70-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(tert-butoxy)phenol
• 英文别名: resorcinol tert-butyl ether；3-t-butyloxyphenol；3-t-butoxyphenol；3-tert-Butoxyphenol；3-[(2-methylpropan-2-yl)oxy]phenol
• CAS: 69374-70-5
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: ZTMXCTDRYVPSDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(tert-butoxy)phenol 在 乙酸铵 、 盐酸 、 sodium hydroxide 、 sodium nitrite 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 生成 3-(tert-butoxy)phenyl (E)-2-(3-phenyltriaz-1-en-1-yl)benzoate
  参考文献：
  名称：

  Pytela, Oldrich; Bahnik, Zdenek, Collection of Czechoslovak Chemical Communications, 1990, vol. 55, # 11, p. 2692 - 2700

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(benzyloxy)-3-(tert-butoxy)benzene 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以93%的产率得到3-(tert-butoxy)phenol
  参考文献：
  名称：

  Enhancing polo-like kinase 1 selectivity of polo-box domain-binding peptides

  摘要：

  An important goal in the development of polo-like kinase 1 (Plk1) polo-box domain (PBD) binding inhibitors is selectivity for Plk1 relative to Plk2 and Plk3. In our current work we show that Plk1 PBD selectivity can be significantly enhanced by modulating interactions within a previously discovered "cryptic pocket" and a more recently identified proximal "auxiliary pocket." Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2017.02.063

文献信息

• A Noncoordinating Acid–Base Catalyst for the Mild and Nonreversible <i>tert</i>-Butylation of Alcohols and Phenols
  作者：Keith R. Fandrick、Nitinchandra D. Patel、Suttipol Radomkit、Arindom Chatterjee、Stefan Braith、Daniel R. Fandrick、Carl A. Busacca、Chris H. Senanayake

  DOI：10.1021/acs.joc.1c00193

  日期：2021.3.19

  A mild and nonreversible tert-butylation of alcohols and phenols can be achieved in high yields using the noncoordinating acid–base catalyst [bis(trifluoromethane)sulfonimide and 2,6-lutidine] with a tert-butylation reagent, tert-butyl 2,2,2-trichloroacetimidate. This method allows the use of substrates containing acid sensitive groups such as ketal, Boc, and boronate esters.

  温和和不可逆的叔醇和酚的-butylation可以以高产率使用非配位酸-碱催化剂[双（三氟甲烷）磺酰亚胺和2,6-二甲基吡啶]用来实现叔-butylation试剂，叔丁基2,2- ，2-三氯乙亚胺酸酯。该方法允许使用包含酸敏感基团的底物，例如缩酮，Boc和硼酸酯。
• Role of Lewis and Brønsted acid sites in resorcinol <i>tert</i>-butylation over heteropolyacid-based catalysts
  作者：Chiara Pezzotta、Vijaykumar S. Marakatti、Eric M. Gaigneaux

  DOI：10.1039/d0cy01030h

  日期：——

  was performed to distinguish between Brønsted and Lewis sites. The resorcinol conversion was correlated to the fraction of Brønsted sites present at the catalyst surface based on the total acidity. The results pointed out the importance of considering both Brønsted and Lewis sites as active players in the mechanism of resorcinol alkylation: Lewis sites have the role of adsorbing the substrate close to

  研究了杂多酸基催化剂表面的Brønsted和Lewis酸位在间苯二酚烷基化与甲基叔丁基醚的反应中的作用。三组催化剂，SiO 2 / HPW，TiO 2 / HPW和ZrO 2研究了通过水解溶胶-凝胶法合成的/ HPW（其中HPW代表磷钨酸水合物）。表面总酸度通过氨化学吸附和热程序解吸来表征。另外，对吸附的吡啶进行红外分析以区分布朗斯台德位点和路易斯位点。基于总酸度，间苯二酚的转化率与存在于催化剂表面的布朗斯台德位点的分数相关。结果指出，同时考虑布朗斯德和路易斯位点在间苯二酚烷基化的机制现役球员的重要性：路易斯位点具有吸附衬底接近的角色叔丁基阳离子，在布朗斯台德位点形成。如果在催化剂表面达到正确的布朗斯台德/刘易斯比率，则间苯二酚的转化率可以提高到最大。
• Alkylation of resorcinol with tertiary butanol over zeolite catalysts: Shape selectivity vs acidity
  作者：Vijaykumar S. Marakatti、Eric M. Gaigneaux

  DOI：10.1016/j.catcom.2021.106291

  日期：2021.4

  of various zeolites such as H-ZSM-5, H-Y, H-beta, H-Mordenite in resorcinol alkylation with tertiary butanol demonstrated that pore characteristics have major influence on product selectivity, whereas acid strength and number of acid sites influenced resorcinol conversion. The passivation of external surface of H-beta zeolite by silylation and amine poisoning produced shape selectively O-alkylated

  H-ZSM-5，HY，H-β，H-丝光沸石等各种沸石在叔丁醇间苯二酚烷基化反应中的催化性能表明，孔特性对产物选择性具有重要影响，而酸强度和酸位点数目影响间苯二酚转换。通过甲硅烷基化和胺中毒对H-β沸石的外表面进行钝化，可选择性地生成O-烷基化间苯二酚甲基叔丁基醚（RMTBE）和4-叔丁基间苯二酚（4-TBR）形状。我们提出4-TBR的形成通过RMTBE异构化作用遍及外部酸位，而4-TBR的形成则通过直接的C-烷基化机制在孔内发生。
• [EN] 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS<br/>[FR] COMPOSES 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE POUR LE TRAITEMENT DE LA TUBERCULOSE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2005042542A1

  公开（公告）日：2005-05-12

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: (1)in the above formula (1), R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R1 and -(CH2)nR2 may form a spiro ring represented by the formula (30) below, together with the adjacent carbon atom (in the formula below, RRR represents a piperidyl group which may have substituents on the piperidine ring), (30)and R2 represents a benzothiazolyloxy group, quinolyloxy group, pyridyloxy group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria.

  本发明提供了一种由以下一般式表示的2,3-二氢-6-硝基咪唑[2,1-b]噁唑化合物：(1)在上述式(1)中，R1代表氢原子或C1-C6烷基，n代表0至6的整数，R1和-(CH2)nR2可以与下面的式(30)一起形成一个螺环，与相邻的碳原子一起（在下面的式中，RRR代表可能在哌啶环上具有取代基的哌啶基），(30)和R2代表苯并噻唑氧基、喹啉氧基、吡啶氧基或类似物。该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型耐酸细菌具有出色的杀菌作用。
• CARBOXYLIC ACID DERIVATIVE
  申请人：TAISHO PHARMACEUTICAL CO., LTD

  公开号：EP1466891A1

  公开（公告）日：2004-10-13

  The following compounds useful as VEGF receptor antagonists and having excellent physical properties are provided. A carboxylic acid derivative represented by formula: wherein ring A represents a benzene ring, a naphthalene ring, or the like; W represents a C1-5 alkylene group; Z represents a single bond or a phenylene group; R1 and R2 are the same or different and each represents a hydrogen atom, a halogen atom, a C1-5 alkyl group or a C1-10 alkoxy group; R3 represents a hydrogen atom, a halogen atom, a C1-12 alkyl group, a C2-5 alkynyl group, a trifluoromethyl group, an acetynyl group, a cyano group, a nitro group, -CH2-R6, -Y-R11, or the like; R4 represents a group represented by formula: and R5 represents a hydrogen atom or a C1-5 alkyl group, or a pharmaceutical acceptable salt of the derivative.

  提供以下化合物作为VEGF受体拮抗剂，具有优异的物理特性。一种由以下公式表示的羧酸衍生物：其中环A表示苯环、萘环或类似物；W表示C1-5烷基；Z表示单键或苯基；R1和R2相同或不同，分别表示氢原子、卤素原子、C1-5烷基或C1-10烷氧基；R3表示氢原子、卤素原子、C1-12烷基、C2-5炔基、三氟甲基、乙炔基、氰基、硝基、-CH2-R6、-Y-R11或类似物；R4表示以下公式表示的基团：和R5表示氢原子或C1-5烷基，或其药用可接受盐。