n-octyl 2,5-dihydroxybenzoate | 37622-52-9

• 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: n-octyl 2,5-dihydroxybenzoate
• 英文别名: 2,5-dihydroxy-benzoic acid octyl ester；2,5-Dihydroxy-benzoesaeure-octylester；octyl 2,5-dihydroxybenzenecarboxylate；Octyl 2,5-dihydroxybenzoate
• CAS: 37622-52-9
• 化学式: C₁₅H₂₂O₄
• 分子量: 266.337
• InChiKey: IPWWPDBOOLRAJL-UHFFFAOYSA-N

物化性质

• 沸点：
  408.9±25.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  月桂烯 、 n-octyl 2,5-dihydroxybenzoate 以 溶剂黄146 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  Accelerated Diels–Alder reaction of quinones generated in situ by a modified electrode in an aqueous sodium dodecyl sulfate micellar system

  摘要：

  原位生成醌的狄尔斯-阿尔德反应 在十二烷基钠水溶液中以优异的收率获得二烯 在玻碳上选择性电氧化硫酸盐溶液 采用阳离子交换树脂改性的电极。

  DOI：

  10.1039/a703113k
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 乙醇 、 钯 作用下， 生成 n-octyl 2,5-dihydroxybenzoate
  参考文献：
  名称：

  Preparation of Gentisic Acid and its Fatty Alcohol Esters

  摘要：

  DOI：

  10.1021/ja01174a046

文献信息

• Acid anhydrides
  申请人：Kaneka Corporation

  公开号：US06642393B2

  公开（公告）日：2003-11-04

  Novel polyimides substituted by a substituent having an alkyl or fluoroalkyl group and having reduced water absorption; a process for producing these novel polyimides; and novel acid dianhydrides to be used in the production thereof. A polyimide containing a structure represented by the following general formula (I): wherein X1 represents a tetravalent organic group having a substituent —R1AR2 (wherein A represents a divalent linkage group; R1 represents a single bond or a C1-3 alkylene group; and R2 represents a C1-25 alkyl group or a fluoroalkyl group); and Y represents a divalent organic group.

  具有烷基或氟烷基取代基的新型聚酰亚胺以及具有降低吸水性的取代基；生产这些新型聚酰亚胺的过程；以及用于生产的新型酸二酐。一种聚酰亚胺，其包含以下通用式(I)所代表的结构：其中X1代表具有取代基—R1AR2的四价有机基团（其中A代表二价连接基团；R1代表单键或C1-3烷基基团；R2代表C1-25烷基基团或氟烷基基团）；Y代表二价有机基团。
• Design of Antibacterial Agents: Alkyl Dihydroxybenzoates against Xanthomonas citri subsp. citri
  作者：Ana Nazaré、Carlos Polaquini、Lúcia Cavalca、Daiane Anselmo、Marilia Saiki、Diego Monteiro、Aleksandra Zielinska、Paula Rahal、Eleni Gomes、Dirk-Jan Scheffers、Henrique Ferreira、Luis Regasini

  DOI：10.3390/ijms19103050

  日期：——

  Xanthomonas citri subsp. citri (Xcc) causes citrus canker, affecting sweet orange-producing areas around the world. The current chemical treatment available for this disease is based on cupric compounds. For this reason, the objective of this study was to design antibacterial agents. In order to do this, we analyzed the anti-Xcc activity of 36 alkyl dihydroxybenzoates and we found 14 active compounds. Among them, three esters with the lowest minimum inhibitory concentration values were selected; compounds 4 (52 μM), 16 (80 μM) and 28 (88 μM). Our study demonstrated that alkyl dihydroxybenzoates cause a delay in the exponential phase. The permeability capacity of alkyl dihydroxybenzoates in a quarter of MIC was compared to nisin (positive control). Compound 28 was the most effective (93.8), compared to compound 16 (41.3) and compound 4 (13.9) by percentage values. Finally, all three compounds showed inhibition of FtsZ GTPase activity, and promoted changes in protofilaments, leading to depolymerization, which prevents bacterial cell division. In conclusion, heptyl dihydroxybenzoates (compounds 4, 16 and 28) are promising anti-Xcc agents which may serve as an alternative for the control of citrus canker.

  柑橘溃疡病是由黄单胞菌亚种柑橘亚种（Xcc）引起的，影响全球甜橙产区。目前针对该疾病的化学治疗方法基于铜化合物。因此，本研究的目标是设计抗菌剂。为了实现这一目标，我们分析了36种烷基二羟基苯甲酸酯的抗Xcc活性，发现了14种活性化合物。其中，选择了三种具有最低最小抑制浓度值的酯类化合物；化合物4（52 μM）、16（80 μM）和28（88 μM）。我们的研究表明，烷基二羟基苯甲酸酯导致指数阶段的延迟。在四分之一MIC的渗透能力方面，烷基二羟基苯甲酸酯与尼星（阳性对照）进行了比较。化合物28的效果最好（93.8），相比化合物16（41.3）和化合物4（13.9）的百分比值。最后，所有三种化合物都显示了对FtsZ GTP酶活性的抑制，并促使原丝变化，导致解聚，从而阻止细菌细胞分裂。总之，庚基二羟基苯甲酸酯（化合物4、16和28）是有前途的抗Xcc剂，可能成为控制柑橘溃疡病的替代品。
• DSC Study on Thermotropic Liquid Crystalline Compounds with Alkyl Substituents
  作者：Yiquan Zheng、Shaoping Ren、Youdao Ling、Mangeng Lu

  DOI：10.1080/15421400500376539

  日期：2006.8.1

  of new liquid crystalline epoxy compounds with alkyl substituents from 1 to 15 carbon atoms were characterized by differential scanning calorimetry (DSC). The result showed the length of lateral alkyl substituents of liquid crystalline compounds was the dominant reason for the change of phase behavior. The result implied that TN-I exhibited the odd–even effect when the length of lateral alkyl chains

  通过差示扫描量热法 (DSC) 对一系列具有 1 至 15 个碳原子的烷基取代基的新型液晶环氧化合物进行了表征。结果表明，液晶化合物的侧向烷基取代基的长度是相行为变化的主要原因。结果表明，当横向烷基链的长度从 5 到 8 约为具有末端极性环氧基的介晶核的完全延伸长度的一半时，TN-I 表现出奇偶效应。
• Mass spectrometry method using mixed matrix
  申请人：SHIMADZU CORPORATION

  公开号：US10481163B1

  公开（公告）日：2019-11-19

  The present invention provides a mass spectrometry method using a mixed matrix, capable of easily and efficiently improving the ionization efficiency in mass spectrometry for peptides having a wide range of degrees of hydrophobicity (from hydrophilic to hydrophobic). A MALDI mass spectrometry method for analyzing a sample using as a mixed matrix, 2,4,6-trihydroxyalkylphenone represented by the following general formula (I): wherein R represents an alkyl group having 3 to 12 carbon atoms, and a matrix (II) for mass spectrometry that is more hydrophilic than 2,4,6-trihydroxyalkylphenone represented by the formula (I) wherein R is an alkyl group having 3 carbon atoms.

  本发明提供了一种使用混合基质的质谱分析方法，能够轻松有效地提高质谱分析中对具有宽范围疏水性（从亲水到疏水）的肽段的电离效率。一种分析样品的 MALDI 质谱方法，该方法使用以下通式 (I) 所代表的 2,4,6-三羟基烷基酚作为混合基质： 其中 R 代表具有 3 至 12 个碳原子的烷基，以及一种用于质谱分析的基质 (II)，其亲水性高于由式 (I) 代表的 2,4,6-三羟基烷基苯酮（其中 R 代表具有 3 个碳原子的烷基）。
• MASS SPECTROMETRY METHOD USING MATRIX ADDITIVE
  申请人：Shimadzu Corporation

  公开号：US20150276756A1

  公开（公告）日：2015-10-01

  The present invention provides amass spectrometry method that can achieve analysis with high sensitivity using a matrix additive capable of improving ionization efficiency in mass spectrometry. Amass spectrometry method comprising the steps of: forming a mixed crystal for mass spectrometry on a target plate for mass spectrometry, the mixed crystal comprising a sample to be analyzed, a matrix, and a matrix additive selected from the group consisting of a 2,5-dihydroxybenzoate and a 3,5-dihydroxybenzoate that are represented by the following formula (I): where R represents an alkyl group having 4 to 14 carbon atoms; and irradiating the mixed crystal with laser to detect the sample to be analyzed.