1-丁氧基-4-(2-甲基-2-丙基)苯 | 5891-68-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-丁氧基-4-(2-甲基-2-丙基)苯
• 英文名称: 1-butoxy-4-(tert-butyl)benzene
• 英文别名: 1-Butoxy-4-tert-butylbenzene
• CAS: 5891-68-9
• 化学式: C₁₄H₂₂O
• 分子量: 206.328
• InChiKey: WWVDEPVDRCEJLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-丁氧基-4-(2-甲基-2-丙基)苯 在 palladium on activated charcoal 、 硝酸 、 甲酸铵 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 40.5h， 生成 3-N-[5-(3-amino-2-butoxy-5-tert-butylanilino)-2,4-dinitrophenyl]-2-butoxy-5-tert-butylbenzene-1,3-diamine
  参考文献：
  名称：

  Oligo-m-aniline Foldamers

  摘要：

  Nitrogen atoms showed intriguing properties such as, they can adopt sp(2) or sp(3) electronic configurations and form various degrees of conjugations with the adjacent aromatic rings depending on the electric nature of aromatic rings. Through deliberate combination of nitrogen atoms with aromatics of different electric nature, oligo-m-aniline foldamers were synthesized with a two-directional synthetic protocol. The synthesized hexamer and heptamer gave a snake-shape folding structure in the crystalline state. By means of 2D NOESY NMR experiments, both the hexamer and heptamer were found to adopt similar folding structures in solution as those in the solid state. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.050
• 作为产物：
  描述：

  1-叔丁基-3-碘苯 在 lithium chloro-isopropyl-magnesium chloride 、 palladium diacetate 、 [双(三氟乙酰氧基)碘]苯 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 3.25h， 生成 1-丁氧基-4-(2-甲基-2-丙基)苯
  参考文献：
  名称：

  有机锗烷的正交 C-O 键结构

  摘要：

  我们报告了一种完全正交的 C-O 键形成策略，该策略涉及芳基锗烷与烷基醇（伯醇、仲醇和叔醇）以及羧酸的选择性偶联，耐受其他广泛使用的偶联处理，例如芳香族（伪）卤素（ C–I、C–Br、C–Cl、C–F、C–OTf、C–OFs)、硅烷和硼酸衍生物。这种前所未有的基于 [Ge] 的 C-O 键结构快速（15 分钟到几个小时的反应时间）、耐空气性、操作简单且温和，因为它是无碱的并且在室温下进行。

  DOI：

  10.1021/jacs.3c01081

文献信息

• Use of Diethoxymethane as a Solvent for Phase Transfer-Catalyzed<i>O</i>-Alkylation of Phenols
  作者：M. Todd Coleman、Gabriel LeBlanc

  DOI：10.1021/op900324p

  日期：2010.5.21

  The effectiveness of diethoxymethane (DEM) as a solvent for O-alkylation of a variety of phenols under phase transfer conditions has been examined and evaluated. The reaction between 4-methoxy phenol and benzyl chloride was selected to compare reaction rates in various solvents and the efficiency of various PTCs. This reaction was further studied to develop a commercially amenable process complete

  在相转移条件下，对二乙氧基甲烷（DEM）作为各种酚O-烷基化溶剂的有效性进行了评估。选择4-甲氧基苯酚和苄基氯之间的反应以比较在各种溶剂中的反应速率和各种PTC的效率。对该反应进行了进一步的研究，以开发出一种商业上可接受的方法，该方法具有再循环物流和有效的产物分离作用。对于这些类型的相转移催化反应，DEM是一种很好的溶剂，可以被视为二氯甲烷和甲苯的替代溶剂。
• Light‐Promoted Nickel Catalysis: Etherification of Aryl Electrophiles with Alcohols Catalyzed by a Ni ^II ‐Aryl Complex
  作者：Liu Yang、Huan‐Huan Lu、Chu‐Hui Lai、Gang Li、Wei Zhang、Rui Cao、Fengyi Liu、Chao Wang、Jianliang Xiao、Dong Xue

  DOI：10.1002/anie.202003359

  日期：2020.7.27

  highly effective C−O coupling reaction of (hetero)aryl electrophiles with primary and secondary alcohols is reported. Catalyzed by a NiII‐aryl complex under long‐wave UV (390–395 nm) irradiation in the presence of a soluble amine base without any additional photosensitizer, the reaction enables the etherification of aryl bromides and aryl chlorides as well as sulfonates with a wide range of primary

  据报道，（杂）芳基亲电试剂与伯醇和仲醇的高效C-O偶联反应。在可溶性胺碱的存在下，在没有任何其他光敏剂的情况下，在长波紫外线（390–395 nm）辐射下，由Ni II-芳基络合物催化，该反应可以使芳基溴化物和芳基氯化物以及磺酸盐与多种伯和仲脂族醇，可提供合成上重要的醚。分子内CO偶联也是可能的。该反应似乎通过Ni I -Ni III催化循环进行。
• Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof
  申请人：Unoki Gen

  公开号：US20070173519A1

  公开（公告）日：2007-07-26

  A pyrazolopyrimidine derivative represented by formula (1) and pharmaceutically acceptable salt thereof exhibit excellent inhibitory activity against MAPKAP-K2. Accordingly, medicines containing this compound as an active ingredient are expected to be effective for treating diseases mediated by MAPKAP-K2 such as, for example, inflammatory disorder, autoimmune diseases, destructive osteopathy, cancer and/or tumor growth.

  由式（1）表示的吡唑吡嘧啶衍生物及其药用盐对MAPKAP-K2表现出优异的抑制活性。因此，含有该化合物作为活性成分的药物预计对治疗由MAPKAP-K2介导的疾病，如炎症性疾病、自身免疫疾病、破坏性骨病、癌症和/或肿瘤生长等方面具有有效性。
• QUINOLONE COMPOUND
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US20140179675A1

  公开（公告）日：2014-06-26

  The present invention provides a compound represented by the formula (I) wherein X is a hydrogen atom or a fluorine atom; R is a hydrogen atom or alkyl; R 1 is (1) cyclopropyl optionally substituted by 1 to 3 halogen atoms or (2) phenyl optionally substituted by 1 to 3 halogen atoms; R 2 is alkyl, alkoxy, haloalkoxy, a halogen atom, cyano, etc.; and R 3 is 7-oxo-7,8-dihydro-1,8-naphthyridinyl, 3-pyridyl, etc., or a salt thereof. The compound of the present invention has excellent antimicrobial activity against Clostridium difficile and is useful for the prevention or treatment of intestinal infection such as Clostridium difficile -associated diarrhea.

  本发明提供了一种由式(I)表示的化合物 其中X是氢原子或氟原子；R是氢原子或烷基；R 1 是(1)环丙基，可选地取代1至3个卤素原子，或(2)苯基，可选地取代1至3个卤素原子；R 2 是烷基，烷氧基，卤代烷氧基，卤素原子，氰基等；R 3 是7-氧代-7,8-二氢-1,8-萘啉基，3-吡啶基等，或其盐。本发明的化合物对 艰难梭菌 具有优异的抗菌活性，并可用于预防或治疗肠道感染，如 艰难梭菌 相关性腹泻。
• SOLUBLE GUANYLATE CYCLASE ACTIVATORS
  申请人：Tan John Q.

  公开号：US20130210798A1

  公开（公告）日：2013-08-15

  This inventions relates to compounds having the structure Formula I and pharmaceutically acceptable salts thereof which are soluble guanylate cyclase activators. The compounds are useful for treatment or prevention of cardiovascular diseases, endothelial dysfunction, diastolic dysfunction, atherosclerosis, hypertension, pulmonary hypertension, angina pectoris, thromboses, restenosis, myocardial infarction, strokes, cardiac insufficiency, pulmonary hypertonia, erectile dysfunction, asthma bronchiale, chronic kidney insufficiency, diabetes, or cirrhosis of the liver.

  这项发明涉及具有结构式I的化合物及其可接受的药用盐，这些化合物是可溶性鸟苷酸环化酶激活剂。这些化合物对于治疗或预防心血管疾病、内皮功能障碍、舒张功能障碍、动脉粥样硬化、高血压、肺动脉高压、心绞痛、血栓形成、再狭窄、心肌梗死、中风、心脏功能不全、肺动脉高压、勃起功能障碍、支气管哮喘、慢性肾功能不全、糖尿病或肝硬化方面是有用的。