2-tert-butyl-4-ethyl-6-iodophenol | 330935-93-8

• 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: 2-tert-butyl-4-ethyl-6-iodophenol
• CAS: 330935-93-8
• 化学式: C₁₂H₁₇IO
• 分子量: 304.171
• InChiKey: PIGFHDXOFPGYHI-UHFFFAOYSA-N

物化性质

• 沸点：
  272.4±28.0 °C(Predicted)
• 密度：
  1.452±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-tert-butyl-4-ethyl-6-iodophenol 在 四(三苯基膦)钯 、 sodium carbonate 、 caesium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 3-[5-ethyl-3-tert-butyl-2-(2,2-difluoroethoxy)benzene]-2-formylthiophene
  参考文献：
  名称：

  Design, Synthesis, and Structure−Activity Relationship Studies of Novel 6,7-Locked-[7-(2-alkoxy-3,5-dialkylbenzene)-3-methylocta]-2,4,6-trienoic Acids

  摘要：

  Retinoid X receptor:peroxisome proliferative-activated receptor (RXR:PPAR) heterodimers play a critical role in the regulation of glucose (RXR/PPARy) and lipid metabolism (RXR/PPARalpha). Previously, we described a concise structure-activity relationship study of selective RXR modulators possessing a (2E,4E,6Z)-3-methyl-7-(3,5-dialkyl-6-Eilkoxyphenyl)-octa-2,4,6-trienoic acid scaffold. These studies were focused on the 2-position alkoxy side chain. We describe here the design and synthesis of a novel series of RXR selective modulators possessing the same aromatic core structure with the addition of a ring locked 6--7-Z-olefin on the trienoic acid moiety. The synthesis and structure- activity relationship studies of these 6,7-locked cyclopentenyl, phenyl, thienyl, furan, and pyridine-trienoic acid derivatives is presented herein.

  DOI：

  10.1021/jm020401k
• 作为产物：
  描述：

  2-叔丁基-4-乙基苯酚 在 sodium hypochlorite 、 sodium iodide 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以96%的产率得到2-tert-butyl-4-ethyl-6-iodophenol
  参考文献：
  名称：

  具有构象明确连接的糖键连接的乙炔基吡啶低聚物的手性螺旋的稳定性

  摘要：

  制备了通过邻亚苯基接头连接到 β-D-吡喃葡萄糖苷模板的四聚体和八聚体 2,6-亚吡啶亚乙炔低聚物，并研究了它们的高级结构。这些低聚物通过乙炔基吡啶部分和糖苷模板之间的分子内氢键形成手性螺旋结构。邻亚苯基接头的刚性稳定了螺旋结构，以提高其 CD 活性和对质子环境的抵抗力。此外，通过添加 Cu(OTf)2 和 Zn(NO3)2 盐增强了螺旋稳定性。

  DOI：

  10.1002/ejoc.201201376

文献信息

• Bloom-resistant benzotriazole UV absorbers and compositions stabilized therewith
  申请人：——

  公开号：US20010023268A1

  公开（公告）日：2001-09-20

  Benzotriazole UV absorbers substituted with an ultra long ester or amide moiety wherein the ester or amide group is a hydrocarbyl group of 25 to 100 carbon atoms or is a group of alkyl of 25 to 100 carbon atoms interrupted by 5 to 39 oxygen atoms and terminated with an omega—OH or an omega—OR group exhibit excellent stabilization efficacy while they concomitantly do not bloom when incorporated into polyolefin films. These benzotriazole UV absorbers also provide excellent protection to white, dyed, dipped, unscented and/or scented candle wax from discoloration and degradation.

  苯并三唑UV吸收剂的取代基为超长酯或酰胺基团，其中酯或酰胺基团是由25至100个碳原子的烃基组成，或是由25至100个碳原子的烷基组成，中间由5至39个氧原子相间，并以ω—OH或ω—OR基团为末端。这些吸收剂展现出卓越的稳定性效果，同时在聚烯烃薄膜中不会出现开花现象。这些苯并三唑UV吸收剂还能为白色、染色、浸渍、无香味和/或有香味的蜡烛提供卓越的保护，防止其变色和降解。
• RXR modulators with improved pharmacologic profile
  申请人：——

  公开号：US20040049072A1

  公开（公告）日：2004-03-11

  The present invention provides a novel class of RXR modulator compounds that exhibit an improved pharmacologic profile relative to the profile of previously studied RXR modulators, including those that share common structural features with the presently claimed modulators. The present invention also provides synthetic methods for preparing these compounds as well as pharmaceutical compositions incorporating these novel compounds and methods for the therapeutic use of such compounds and pharmaceutical compositions.

  本发明提供了一种新型的RXR调节剂化合物，相对于先前研究过的RXR调节剂，包括那些与目前所声称的调节剂具有共同结构特征的化合物，表现出改进的药理学特性。本发明还提供了合成这些化合物的方法，以及包含这些新型化合物的药物组合物和这些化合物和药物组合物的治疗用途的方法。
• RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE
  申请人：LIGAND PHARMACEUTICALS INCORPORATED

  公开号：EP1216221A2

  公开（公告）日：2002-06-26
• US6593493B1
  申请人：——

  公开号：US6593493B1

  公开（公告）日：2003-07-15
• [EN] RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE<br/>[FR] MODULATEURS RXR A PROFIL PHARMACOLOGIQUE AMELIORE
  申请人：LIGAND PHARM INC

  公开号：WO2001019770A2

  公开（公告）日：2001-03-22

  The present invention provides a novel class of RXR modulator compounds that exhibit an improved pharmacologic profile relative to the profile of previously studied RXR modulators, including those that share common structural features with the presently claimed modulators. The present invention also provides synthetic methods for preparing these compounds as well as pharmaceutical compositions incorporating these novel compounds and methods for the therapeutic use of such compounds and pharmaceutical compositions.