1-(3,4-Dihydroxyphenyl)-n-butanol | 25527-85-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1-(3,4-Dihydroxyphenyl)-n-butanol
• 英文别名: 1-(3,4-Dihydroxyphenyl)butan-1-ol；α-hydroxy-1,2-dihydroxy-4-butylbenzene；4-(1-Hydroxybutyl)benzene-1,2-diol
• CAS: 25527-85-9
• 化学式: C₁₀H₁₄O₃
• 分子量: 182.219
• InChiKey: LATGGSZRMCTXJE-UHFFFAOYSA-N

物化性质

• 沸点：
  360.0±27.0 °C(Predicted)
• 密度：
  1.211±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3,4-Dihydroxyphenyl)-n-butanol 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以80%的产率得到4-丁基邻苯二酚
  参考文献：
  名称：

  Quantitative Structure-Activity Relationship of Catechol Derivatives Inhibiting 5-Lipoxygenase.

  摘要：

  合成了多种儿茶酚衍生物（β-取代的3,4-二羟基苯乙烯、1-取代的3,4-二羟基苯和6-取代的2,3-二羟基萘），并测试了它们对5-脂氧合酶的抑制作用。通过取代基和结构参数进行定量结构-活性关系研究，并采用回归分析。抑制活性的变化可以用双线性疏水参数（log P）、空间（分子厚度）和电子（邻近儿茶酚基团的质子的核磁共振氢谱化学位移）参数来解释。抑制剂分子的疏水性很重要，log P的最佳值约为4.3-4.6，超过此值抑制作用不再增加。含有儿茶酚基团的芳环电子密度较低以及亲脂性侧链厚度较大均不利于活性。这些结果为候选化合物的发展研究提供了物理化学基础。

  DOI：

  10.1248/cpb.39.1736
• 作为产物：
  描述：

  1-(3,4-二羟基苯基)丁烷-1-酮 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 生成 1-(3,4-Dihydroxyphenyl)-n-butanol
  参考文献：
  名称：

  Villa; Ferri; Grana, Farmaco, Edizione Scientifica, 1970, vol. 25, # 2, p. 118 - 124

  摘要：

  DOI：

文献信息

• MASS SPECTROMETRIC IDENTIFICATION AND/OR QUANTITATION OF CATECHOLAMINES USING AMINOPYRAZOLES
  申请人：DH TECHNOLOGIES DEVELOPMENT PTE. LTD.

  公开号：US20160305969A1

  公开（公告）日：2016-10-20

  A method is described for mass spectrometric analysis, detection and quantification of catecholamines. The methods can comprise reacting the catecholamines with a 4-aminoantippyrine reagent and detecting and/or quantifying the adduct produced by the reaction. The methods can also allow for multiplexing. Compounds formed by the reactions are also provided.

  描述了一种用于质谱分析、检测和定量儿茶酚胺的方法。该方法可以包括将儿茶酚胺与4-氨基安替比林试剂反应，并检测和/或定量由反应产生的加合物。该方法还可以实现多重复合。还提供了反应产生的化合物。
• NOVEL CHIRAL METAL COMPLEX AND USE THEREOF FOR ANALYZING CHIRALITY OF CHARGED COMPOUND BY 1H NMR SPECTROSCOPY
  申请人：KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US20170052131A1

  公开（公告）日：2017-02-23

  Provided are novel ligand, a chiral metal complex including the same, and a use of the chiral metal complex for analyzing the chirality of a charged compound by 1 H NMR spectroscopy. The chiral metal complex of the present invention may be used as the chiral solvating agent to conveniently analyze the optical purity of charged compounds such as various amine derivatives, carboxylic acid derivatives, cyanohydrin derivatives and charged metal complexes by 1 H NMR spectroscopy.

  本发明提供了一种新型配体，包括该配体的手性金属配合物，以及利用该手性金属配合物通过1H NMR光谱分析带电化合物的手性的用途。本发明的手性金属配合物可用作手性溶剂化剂，方便地通过1H NMR光谱分析各种胺衍生物、羧酸衍生物、氰醇衍生物和带电金属配合物等带电化合物的光学纯度。
• Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders
  申请人：Galderma Laboratories, L.P.

  公开号：US20160220565A1

  公开（公告）日：2016-08-04

  In methods, compounds, and topical formulations for treatment of inflammatory skin disorders incorporating compounds represented by the formulas below: wherein each of R 1 , R 2 , and R 3 is independently hydrogen, hologen, alkyl, or alkoxy; each of R 4 and R 5 is independently hydrogen, alkyl, or alkoxy; and each of R 6 and R 7 is independently hydrogen, nitro, alkyl, or alkoxy; wherein each of A 1 , A 3 , and A 4 is independently hydrogen or alkyl; and A 2 is independently hydrogen or hydroxy; and wherein each of B 1 , B 2 , and B 3 is independently hydrogen, hydroxy, or alkoxy; and each of B 4 and B 5 is independently hydrogen or alkyl, applying such compounds topically as sprays, mists, aerosols, solutions, lotions, gels, creams, ointments, pastes, unguents, emulsions, and suspensions to treat inflammatory skin disorders and the symptoms associated therewith.

  本发明涉及用于治疗炎症性皮肤疾病的方法、化合物和局部制剂，其中包含以下式子所代表的化合物：其中R1、R2和R3中的每一个独立地表示氢、卤素、烷基或烷氧基；R4和R5中的每一个独立地表示氢、烷基或烷氧基；R6和R7中的每一个独立地表示氢、硝基、烷基或烷氧基；其中A1、A3和A4中的每一个独立地表示氢或烷基；A2独立地表示氢或羟基；其中B1、B2和B3中的每一个独立地表示氢、羟基或烷氧基；B4和B5中的每一个独立地表示氢或烷基。将这些化合物作为喷雾、雾化剂、气溶胶、溶液、乳液、凝胶、霜剂、膏药、乳膏、乳膏、乳化液和悬浮剂局部涂抹，以治疗炎症性皮肤疾病及其相关症状。
• Pharmaceutical composition containing slightly water-soluble drug
  申请人：THE GREEN CROSS CORPORATION

  公开号：EP0448091A2

  公开（公告）日：1991-09-25

  The orally administrable pharmaceutical compositions containing a slightly water-soluble drug, characterized by improved stability and improved absorption of the drug from digestive tract into blood. The use of the compositions of the present invention enables decrease of the dose amount of a slightly water-soluble drug, which eventually leads to alleviation of pains and side effects on the part of patients.

  本发明的口服药物组合物含有微水溶性药物，其特点是稳定性更好，药物从消化道进入血液的吸收率更高。使用本发明的组合物可以减少微水溶性药物的剂量，从而最终减轻患者的痛苦和副作用。
• METAL COMPLEXES OF SUBSTITUTED CATECHOLATES AND REDOX FLOW BATTERIES CONTAINING THE SAME
  申请人：LOCKHEED MARTIN ADVANCED ENERGY STORAGE, LLC

  公开号：US20160149251A1

  公开（公告）日：2016-05-26

  Active materials for flow batteries can include various coordination compounds formed from transition metals. Some compositions containing coordination compounds can include a substituted catecholate ligand having a structure of in a neutral form or a salt form, in which Z is a heteroatom functional group bound to the substituted catecholate ligand at an open aromatic ring position and n is an integer ranging between 1 and 4. When more than one Z is present, each Z can be the same or different. Electrolyte solutions can include such coordination compounds, and such electrolyte solutions can be incorporated within a flow battery.