Resorcindi-isobutylether | 85417-73-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Resorcindi-isobutylether
• 英文别名: 1,3-diisobutoxy-benzene；1,3-Diisobutoxy-benzol；1,3-diisobutoxybenzene；1,3-bis(2-methylpropoxy)benzene
• CAS: 85417-73-8
• 化学式: C₁₄H₂₂O₂
• 分子量: 222.327
• InChiKey: JYXZVHTWBCJSCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Resorcindi-isobutylether 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 silver hydrogensulfate 、 碘 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 29.0h， 生成
  参考文献：
  名称：

  Complexation of two macrocycles for amide, saccharide, and halide derivatives: the capacity of 1,2,3-triazole as hydrogen and halogen bonding acceptors

  摘要：

  Two 1,2,3-triazole- and amide-incorporated macrocycles have been prepared by 1,3-dipolar cycloaddition of the corresponding dialkyne and diazide precursors. Intramolecular C-H center dot center dot center dot O hydrogen bonding is introduced to lock the C-5-H atoms of the 1,2,3-triazole rings. The binding of the two macrocycles to amide, monosaccharide, and halide derivatives in chloroform or dichloromethane has been investigated. It is revealed that the amide units dominate their binding toward the amide and monosaccharide guests through forming intermolecular hydrogen bonding and 1,2,3-triazole is as weak as an intermolecular hydrogen bonding acceptor, but it forms intermolecular halogen bonding when cooperative effect exists. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.10.064
• 作为产物：
  描述：

  碘代异丁烷 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醇 作用下， 生成 Resorcindi-isobutylether
  参考文献：
  名称：

  Irani et al., Journal of the University of Bombay, Science: Physical Sciences, Mathematics, Biological Sciences and Medicine, 1950, vol. 18/5 A, p. 1,4

  摘要：

  DOI：

文献信息

• DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF
  申请人：RNS CO.,LTD.

  公开号：US20150283051A1

  公开（公告）日：2015-10-08

  Provided is a skin whitening composition with excellent whitening effects, specifically, a derivative or a polyhydroxy cyclic compound represented by Formula I or a pharmacologically acceptable salt thereof, comprising; wherein is derived from an aromatic cyclic compound, C n , C n+1 and C n+2 are three neighboring carbon atoms present in the aromatic cyclic compound, wherein n is a positive integer, R 1 and R 2 are each a saturated or unsaturated straight or branched alkyl or acyl group having 3 to 12 carbon atoms, and R 3 , R 4 , R 5 and R 6 are each independently at least one substituent selected from hydrogen, alkyl, alkoxy, acyloxy, acyloxymethyl, oxo, hydroxy, vinyl, nitrile, carboxaldehyde, carbonitrile and aldehyde.

  提供一个具有优异美白效果的皮肤美白组合物，具体为公式I所表示的衍生物或多元醇环化合物或其药理上可接受的盐，其中 所述的芳香族环化合物，C n ，C n+1 和C n+2 是存在于芳香族环化合物中的三个相邻的碳原子，其中n是正整数，R 1 和R 2 分别是具有3至12个碳原子的饱和或不饱和直链或支链烷基或酰基，而R 3 ，R 4 ，R 5 和R 6 各自独立地选自氢、烷基、烷氧基、酰氧基、酰氧甲基、氧代、羟基、乙烯基、腈、羧醛、碳腈和醛中至少一个取代基。
• Synthesis of Aminobenzopyranoxanthenes with Nitrogen-Containing Fused Rings
  作者：Natsumi Fukino、Shinichiro Kamino、Minami Takahashi、Daisuke Sawada

  DOI：10.1021/acs.joc.7b02290

  日期：2017.12.15

  An efficient and practical method for the synthesis of a variety of aminobenzopyranoxanthenes (ABPXs) with different nitrogen-containing fused rings was developed. On the basis of the mechanistic studies of the formation of the xanthene framework, the presented methodology was developed to facilitate access to previously inaccessible asymmetric ABPXs.

  开发了一种高效实用的合成具有不同含氮稠环的多种氨基苯并吡喃并氧杂蒽（ABPXs）的方法。在对the吨框架形成机理的研究的基础上，开发了所提出的方法，以便利于访问以前无法访问的不对称ABPX。
• Novel benzophenone derivatives or salts thereof
  申请人：Chaki Hisaaki

  公开号：US20050113400A1

  公开（公告）日：2005-05-26

  A benzophenone derivative represented by the following formula: wherein R 1 represents, for example, an optionally substituted heterocyclic group, or a substituted phenyl group; Z represents, for example, an alkylene group; R 2 represents, for example, a carboxyl group optionally protected with alkyl; R 3 represents, for example, an optionally protected hydroxyl group; R 4 represents, for example, an optionally substituted cycloalkyloxy group; and R 5 represents, for example, a hydrogen atom, or a salt thereof has anti-arthritic activity, inhibits bone destruction caused by arthritis, and provides high safety and excellent pharmacokinetics and thus is useful as therapeutic agent for arthritis. These compounds have inhibitory effect on AP-1 activity and are useful as preventive or therapeutic agent for diseases in which excessive expression of AP-1 is involved.

  以下是一种苯甲酮衍生物的化学式： 其中，R1代表例如可选取代的杂环基团或取代的苯基团；Z代表例如烷基链；R2代表例如可用烷基保护的羧基；R3代表例如可选保护的羟基；R4代表例如可选取代的环烷氧基团；R5代表例如氢原子或其盐。该化合物具有抗关节炎活性，能抑制由关节炎引起的骨破坏，并提供高安全性和优异的药代动力学，因此可用作治疗关节炎的药物。这些化合物具有抑制AP-1活性的作用，可用作预防或治疗与过度表达AP-1有关的疾病的药物。
• Compounds and medicinal use thereof
  申请人：Toyama Chemical Co., Ltd.

  公开号：US07314888B1

  公开（公告）日：2008-01-01

  A compound or a salt thereof having the atom corresponding to N3 and the two or more atoms selected from N1, N2, N4 and N5, said atoms constitute the pharmacophore represented by the following formula: and inhibits the activity of transcription factor AP-1 and is useful as an agent for preventing and treating the diseases into which over expression of AP-1 participates and as an AP-1 inhibitor.

  具有对应于N3的原子和由N1、N2、N4和N5中选择的两个或更多个原子构成的药效团的化合物或其盐，所述原子构成以下公式所代表的药效团，并抑制转录因子AP-1的活性，用作预防和治疗过度表达AP-1参与的疾病的药物和AP-1抑制剂。
• NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF
  申请人：Chaki Hisaaki

  公开号：US20090118169A1

  公开（公告）日：2009-05-07

  A compound comprising the atom corresponding to N 3 and the two or more atoms selected from N 1 , N 2 , N 4 and N 5 , said atoms constitute the pharmacophore represented by the following formula: wherein N 1 represents an atom to which a donative hydrogen atom in a hydrogen-bond donating group is bonded or a hydrogen-bond accepting atom in a hydrogen-bond accepting group; N 3 represents a hydrogen-bond accepting atom in a hydrogen-bond accepting group; and N 2 , N 4 and N 5 independently represents an arbitrary carbon atom constituting a hydrophobic group and defined by the interatomic distances between N 1 , N 2 , N 3 , N 4 and N 5 ; and, in the optimized three-dimensional structure thereof, the distances between the atom corresponding to N 3 and the two or more atoms selected from N 1 , N 2 , N 4 and N 5 , in the optimized steric structure thereof, are the interatomic distances in a pharmacophore; or a salt thereof; inhibits the activity of transcription factor AP-1 and is useful as an agent for preventing and treating the diseases into which overexpression of AP-1 participates and as an AP-1 inhibitor.

  该化合物由与N3对应的原子和从N1、N2、N4和N5中选择的两个或更多原子组成，这些原子构成了以下公式所代表的药效团：其中，N1代表氢键供体基团中的给氢原子所结合的原子或氢键受体基团中的接受氢原子的原子；N3代表氢键受体基团中的接受氢原子的原子；N2、N4和N5分别独立地表示构成疏水基团的任意碳原子，并由N1、N2、N3、N4和N5之间的原子间距离定义；在其优化的三维结构中，N3对应的原子与从N1、N2、N4和N5中选择的两个或更多原子之间的距离，在其优化的立体结构中，是药效团中的原子间距离；或其盐；抑制转录因子AP-1的活性，并且作为预防和治疗过度表达AP-1参与的疾病和AP-1抑制剂的制剂是有用的。