1-(3,4-二羟基苯基)丁烷-1-酮 | 17386-89-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(3,4-二羟基苯基)丁烷-1-酮
• 英文名称: 4-butyryl-1,2-dihydroxybenzene
• 英文别名: 4-Butyryl-brenzcatechin；4-Butyrylpyrocatechol；4-Butyroylpyrocatechol；1-(3,4-dihydroxy-phenyl)-butan-1-one；1-(3,4-Dihydroxy-phenyl)-butan-1-on；1-(3,4-Dihydroxyphenyl)butan-1-one
• CAS: 17386-89-9
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: NLERVTXJOGYIKC-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于二氯甲烷、乙酸乙酯、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2914501900

反应信息

• 作为反应物：
  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：
• 作为产物：
  描述：

  2-甲氧基苯基丁酸酯 在 二硫化碳 、 三氯化铝 作用下， 生成 1-(3,4-二羟基苯基)丁烷-1-酮
  参考文献：
  名称：

  Antiseptics. IV.¹ Alkyl Catechols

  摘要：

  DOI：

  10.1021/ja01268a003

文献信息

• The synthesis, structure and activity evaluation of pyrogallol and catechol derivatives as Helicobacter pylori urease inhibitors
  作者：Zhu-Ping Xiao、Tao-Wu Ma、Wei-Chang Fu、Xiao-Chun Peng、Ai-Hua Zhang、Hai-Liang Zhu

  DOI：10.1016/j.ejmech.2010.08.015

  日期：2010.11

  Some pyrogallol and catechol derivatives were synthesized, and their urease inhibitory activity was evaluated by using acetohydroxamic acid (AHA), a well known Helicobacter pylori urease inhibitor, as positive control. The assay results indicate that many compounds have showed potential inhibitory activity against H. pylori urease. 4-(4-Hydroxyphenethyl)phen-1,2-diol (2a) was found to be the most potent

  合成了一些邻苯三酚和邻苯二酚衍生物，并使用众所周知的幽门螺杆菌脲酶抑制剂乙酰氧肟酸（AHA）作为阳性对照，评估了它们对脲酶的抑制活性。测定结果表明许多化合物已显示出对幽门螺杆菌脲酶的潜在抑制活性。已发现4-（4-羟基苯乙基）phen-1,2-二醇（2a）是最有效的脲酶抑制剂，提取分数的IC 50值为1.5±0.2μM，完整细胞的IC 50值为4.2±0.3μM，至少10分别比AHA低2倍和20倍（IC 50为17.2±0.9μM，100.6±13μM）。这一发现表明2a潜在的脲酶抑制剂将值得进一步研究。为了理解所观察到的良好活性，进行了2a到幽门螺杆菌脲酶活性位点的分子对接。
• Selective Acylation of Phenols in Boron Trifluoride Diethyl Etherate Solution and the Mechanistic Implication
  作者：Zhu-Ping Xiao、Wei Wei、Shen Huang、Xiao-Yi Lin、Bin Peng、Xu-Dong Wang、Lei Zhang

  DOI：10.14233/ajchem.2014.17019

  日期：——

  In the presence of boron trifluoride diethyl etherate (BF3·OEt2), direct acylation of phenols with free carboxylic acid is chemoselective and regioselective and no demethylation, if any, was observed. The para-directing effect of BF3·OEt2 is attributed to the large steric hindrance of the boron trifluoride-phenolic hydroxyl group complex, which blocks the ortho-acylation from occurrence. Microwave irradiation could not change the regioselectivity of BF3·OEt2 except the reaction time being greatly shortened.

  在三氟化硼二乙醚合物（BF3·OEt2）的存在下，酚类化合物直接与游离羧酸酰化反应具有化学选择性和区域选择性，并且没有观察到脱甲基化现象。BF3·OEt2的导向效应归因于硼三氟化物-酚羟基络合物的大位阻，这阻碍了邻位酰化的发生。微波照射不能改变BF3·OEt2的区域选择性，除了反应时间大大缩短。
• A convenient synthetic approach to dioncoquinone B and related compounds
  作者：Ekaterina A. Khmelevskaya、Dmitry N. Pelageev

  DOI：10.1016/j.tetlet.2019.03.016

  日期：2019.4

  A total synthesis of dioncoquinone B and related compounds, including ancistroquinones B, C and malvon A, is presented. The strategy is based on available reagents and can be used as a preparative synthesis of a number of natural and synthetic biologically active (3-alkyl)-2,7,8-di(tri)methoxy(hydroxy)-1,4-naphthoquinones.

  提出了二oncoquinone B和包括蒽醌B，C和malvon A在内的相关化合物的全合成。该策略基于可用的试剂，可以用作许多天然和合成的生物活性（3-烷基）-2,7,8-二（三）甲氧基（羟基）-1,4-萘醌的制备性合成。
• Photothermographic recording material comprising sensitizing dyes and a recording process therefor
  申请人：AGFA-GEVAERT N.V.

  公开号：EP0821266A1

  公开（公告）日：1998-01-28

  A photothermographic recording material comprising a support and a photo-addressable thermally developable element comprising a substantially light-insensitive organic silver salt, a reducing agent therefor in thermal working relationship therewith, photosensitive silver halide spectrally sensitized with a dye and in catalytic association with the substantially light-insensitive organic silver salt and a binder, characterized in that the dye corresponds to the general formula (I): with an anion if necessary for charge compensation, wherein Z1 and Z2 independently represent S, O or Se; R1 and R13 independently represent an alkylene group; X1 and X2 independently represent a -(C=O)-R18, a -(SO2)-R19 or a -(S=O)-R20 group where R18, R19 and R20 independently represent an alkoxy-, aryloxy-, amino- or substituted amino-group; R2, R3, R4, R5, R14, R15, R16 and R17 independently represent hydrogen, chlorine, bromine, fluorine, iodine or a keto-, sulfo-, carboxy-, ester-, sulfonamide-, amide-, dialkylamino-, nitro-, cyano-, alkyl-, alkenyl-, hetero-aromatic, aryl-, alkoxy- or aryloxy-group, which groups may be substituted; or each of R2 together with R3, R3 together with R4, R4 together with R5, R14 together with R15, R15 together with R16 and R16 together with R17 may independently constitute the atoms necessary to complete a benzene ring which may be substituted; R6, R7, R8, R9, R10, R11 and R12 independently represent hydrogen, chlorine, bromine, fluorine, iodine, an alkyl group, a substituted alkyl group, an alkoxy group, an aryloxy group, a thioalkyl group, a disubstituted amino group, where the substituents may constitute the atoms necessary to complete a 5-ring atom or 6-ring atom heterocyclic ring, or each of R6 together with R8, R8 together with R10, R10 together with R12, R7 together with R9 and R9 together with R11 may independently constitute the atoms necessary to complete a 5-atom or 6-atom carbocylic or heterocyclic ring which may be substituted; and each of R1 together with R6 and R13 together with R12 may independently constitute the atoms necessary to complete a 5-ring atom or 6-ring atom heterocyclic ring which may be substituted.

  一种光热成像记录材料，包括一个支撑体和一个可光敏热显影元件，该元件包括基本上不感光的有机银盐、与之有热工作关系的还原剂、用染料分光敏化并与基本上不感光的有机银盐和粘合剂催化结合的光敏卤化银，其特征在于染料对应于通式(I)： 其中 Z1 和 Z2 独立地代表 S、O 或 Se；R1 和 R13 独立地代表亚烷基；X1 和 X2 独立地代表-(C=O)-R18、-(SO2)-R19 或-(S=O)-R20 基团，其中 R18、R19 和 R20 独立地代表烷氧基、芳氧基、氨基或取代氨基；R2、R3、R4、R5、R14、R15、R16 和 R17 独立地代表氢、氯、溴、氟、碘或酮基、磺基、羧基、酯基、磺酰胺基、酰胺基、二烷基氨基、硝基、氰基、烷基、烯基、杂芳基、芳基、烷氧基或芳氧基，这些基团可以被取代；或 R2 连同 R3、R3 连同 R4、R4 连同 R5、R14 连同 R15、R15 连同 R16 和 R16 连同 R17 中的每一个可独立构成完成苯环所需的原子，该苯环可被取代；R6、R7、R8、R9、R10、R11 和 R12 可独立代表氢、氯、溴、氟、碘、烷基、取代烷基、烷氧基、芳氧基、硫代烷基、二取代氨基，其中取代基可构成完成 5 环原子或 6 环原子杂环所需的原子、或 R6 与 R8、R8 与 R10、R10 与 R12、R7 与 R9 和 R9 与 R11 中的每一个可独立构成完成可被取代的 5 原子或 6 原子碳环或杂环所需的原子；R1 与 R6 和 R13 与 R12 可各自独立地构成完成可被取代的 5 环原子或 6 环原子杂环所需的原子。
• WATER-BASED EXTRUSION PRIMER FOR POLYETHYLENE
  申请人：Henkel AG & Co. KGaA

  公开号：EP3699247A1

  公开（公告）日：2020-08-26

  The invention relates to a specific method of manufacturing a multilayer laminate. Additionally, the invention is directed to a multilayer laminate obtained by the method according to the invention and to the use of a specific aqueous coating composition comprising at least one specific copolymer as extrusion primer.

  本发明涉及一种制造多层层压板的特殊方法。此外，本发明还涉及一种通过本发明方法获得的多层层压板，以及使用一种包含至少一种特定共聚物的特定水性涂料组合物作为挤出底漆。

表征谱图