2,6-二羧酸-4-甲基苯酚 | 40617-52-5

• 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: 2,6-二羧酸-4-甲基苯酚
• 英文名称: 4-methylphenol-2,6-dicarboxylic acid
• 英文别名: 2-hydroxy-5-methylisophthalic acid；2-hydroxy-5-methylbenzene-1,3-dicarboxylic acid
• CAS: 40617-52-5
• 化学式: C₉H₈O₅
• mdl: MFCD06203156
• 分子量: 196.16
• InChiKey: KDXVWMYGJZDEPM-UHFFFAOYSA-N

物化性质

• 沸点：
  400.6±45.0 °C(Predicted)
• 密度：
  1.518±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,6-二羧酸-4-甲基苯酚 在 草酰氯 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 生成 2,6-bis[(N-phenyl)amido]-4-methylphenol
  参考文献：
  名称：

  An abiotic receptor and its Cu(II) complex as selective ‘turn-off’ chemosensor for bisulfate ion

  摘要：

  The ligand 2,6-bis[(N-phenyl)amido]-4-methylphenol (receptor 1) and its copper(II) complex (receptor 2) having amide moiety have been designed and synthesized for selective sensing of anions. The anion recognition behavior of the receptor 1 and its copper complex (receptor 2) has been studied in acetonitrile. Quenching of fluorescence was observed for both receptors in presence of HSO4- anion whereas other physiologically and environmentally important anions such as F-, Cl-, Br-, I-, CN-, OAc-, HCO3-, H2PO4-, NO3-, NO2- and SO42- show fluorescence enhancement behavior. The sensing protocol has been studied both spectrophotometrically as well as spectrofluorometrically. Fluorescence quenching is suggested to proceed via both dynamic and static processes. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2015.03.096
• 作为产物：
  描述：

  2-羟基-3-甲基-苯甲酸 在 氢氧化钾 作用下， 生成 2,6-二羧酸-4-甲基苯酚
  参考文献：
  名称：

  Analysis of aqueous humour proteins of eyes with and without pseudoexfoliation syndrome

  摘要：

  Pseudoexfoliation syndrome (PEX) has been suggested to represent a blood-aqueous barrier impairment leading to a higher protein content in aqueous humour of eyes with PEX. However, the nature of a prospective PEX protein has not yet been described. We set out to reevaluate protein content and examine protein composition for prospective PEX protein candidates in aqueous humour of eyes with PEX syndrome. Aqueous humour of 52 patients with PEX and 38 without PEX signs was sampled during cataract or glaucoma surgery. Total aqueous protein concentration in the samples was analysed in 43 PEX specimens and 32 non-PEX specimens according to Bradford. Aqueous protein composition of all samples was determined by sodium dodecylsulphate polyacrylamide gel electrophoresis (SDS PAGE) and silver staining. Screening for amyloids was performed in nine PEX samples and six non-PEX samples by Congo Red staining and polarised light microscopy. Aqueous protein concentration was not significantly increased in PEX eyes in comparison with non-PEX eyes. Furthermore, we could not detect any characteristic difference in protein band sizes of the two groups after SDS PAGE. However, we were able to show the presence of amyloid exclusively in aqueous humour of PEX patients. Conclusion: our results do not confirm a generally higher protein concentration in pseudoexfoliation syndrome eyes. This does not necessarily contradict a blood-aqueous barrier impairment but illustrates the variance in protein concentration between and within the two groups. No characteristic protein band allocatable to pseudoexfoliation syndrome proteins could be detected in any of the samples. However, our findings support the theory that the pseudoexfoliation syndrome is associated with an amyloid of a serum protein.

  DOI：

  10.1007/s004170100357

文献信息

• Oxidative DNA Cleavage, Formation of μ-1,1-Hydroperoxo Species, and Cytotoxicity of Dicopper(II) Complex Supported by a <i>p</i>-Cresol-Derived Amide-Tether Ligand
  作者：Yuki Kadoya、Katsuki Fukui、Machi Hata、Risa Miyano、Yutaka Hitomi、Sachiko Yanagisawa、Minoru Kubo、Masahito Kodera

  DOI：10.1021/acs.inorgchem.9b02093

  日期：2019.11.4

  Metal complexes to promote oxidative DNA cleavage by H2O2 are desirable as anticancer drugs. A dicopper(II) complex of known p-cresol-derived methylene-tether ligand Hbcc [Cu2(bcc)]3+ did not promote DNA cleavage by H2O2. Here, we synthesized a new p-cresol-derived amide-tether one, 2,6-bis(1,4,7,10-tetrazacyclododecyl-1-carboxyamide)-p-cresol (Hbcamide). A dicopper(II) complex of the new ligand [Cu2(μ-OH)(bcamide)]2+

  期望通过H 2 O 2促进氧化性DNA切割的金属配合物作为抗癌药。已知的对甲酚衍生的亚甲基链配体Hbcc [Cu 2（bcc）] 3+的Dicopper （II）配合物不能促进H 2 O 2对DNA的切割。在这里，我们合成了一种新的p甲酚衍生的酰胺系链之一，2,6-双（1,4,7,10- tetrazacyclododecyl -1-羧酰胺） - p甲酚（Hbcamide）。在结构上表征了新配体[Cu 2（μ-OH）（bcamide）] 2+的双铜（II）配合物。该复合物促进了超螺旋质粒pUC19 DNA（I型）与H 2的氧化裂解。在pH 6.0-8.2的O 2中得到晶型II和III。在高pH范围内，反应大大加速。μ-1,1-氢过氧物质形成为活性物质，并在光谱上进行了鉴定。酰胺-束缚复合物在抗HeLa细胞的细胞毒性方面比亚甲基-束缚复合物更有效。
• 二核化配位子又は二核金属錯体
  申请人：学校法人同志社

  公开号：JP2021042188A

  公开（公告）日：2021-03-18

  【課題】簡易に合成でき的確な抗がん作用を有する二核金属錯体の提供。【解決手段】下記式（Ｉ）で示される二核化配位子、およびその二核金属錯体。(式中、Ｘは同一又は異なってＨ、Ｃｌ、ＯＭｅ、又は、Ｍｅであり、ＹはＨ、フェニル基、置換カルバモイル基等である。）【選択図】なし

  提供具有简便合成且具有确切抗癌作用的双核金属配合物。通过以下式（I）所示的双核配体以及其双核金属配合物。（在该式中，X代表相同或不同的H、Cl、OMe或Me，Y代表H、苯基、取代羰基等。）【选择图】无
• A mononuclear copper(ii) complex immobilized in mesoporous silica: an efficient heterogeneous catalyst for the aerobic oxidation of benzylic alcohols
  作者：Suvendu Samanta、Sudipto Das、Partha Kumar Samanta、Supriya Dutta、Papu Biswas

  DOI：10.1039/c3ra41417e

  日期：——

  The diamide ligand 2,6-bis[(N-phenyl)amido]-4-methylphenol (HL) has been used to synthesize a mononuclear copper(II) complex, [CuL2(DMF)2] (1). The X-ray crystal structure of this complex reveals that the copper(II) center is coordinated to the two phenoxides and two amide carbonyl oxygens of the HL ligand and additionally to the amide carbonyl oxygens of two dimethylformamide molecules. This complex

  二酰胺配体2，6-双[（N-苯基）酰胺基] -4-甲基苯酚（HL）已用于合成单核铜（II）配合物[CuL 2（DMF）2 ]（1）。该配合物的X射线晶体结构表明，铜（II）中心与HL配体的两个酚盐和两个酰胺羰基氧配位，另外还与两个二甲基甲酰胺分子的酰胺羰基氧配位。还使用UV-Vis和EPR光谱以及热和电化学分析对这种复合物进行了表征。然后将络合物1固定在2-D中孔二氧化硅基质中。这种固定的复合体1a，已使用紫外可见光谱和FT-IR光谱以及小角度X射线衍射，N 2吸附和TEM进行了表征。发现在TEMPO存在下，固定化的复合物能够将苯甲醇的好氧氧化反应异构化为相应的醛类，并具有高达4个循环的高转化率和良好的可回收性。
• Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2′-oxydianiline and the ROP capability of their organoaluminium complexes
  作者：Wenxue Yang、Ke-Qing Zhao、Timothy J. Prior、David L. Hughes、Abdessamad Arbaoui、Mark R. J. Elsegood、Carl Redshaw

  DOI：10.1039/c6dt01997h

  日期：——

  of alkyl groups and isolation of the complexes [(AlR′2)4L1′–3′] (R = L2′, R′ = Me (11); L3′, R′ = Me (12); L1′, R′ = Et (13); L2′, R′ = Et (14); L3′, R′ = Et (15)), where L1′–3′ is the macrocycle resulting from double alkyl transfer to imine, namely [2-(O)-5-(R)C6H2-1-(CH)-3-C(R′)H][(O)(2-(N)-2′-C6H4N)2]}2. Molecular structures of complexes 7·2¼MeCN, 8, 9·4toluene, 10·5MeCN and 11·1¾toluene·1¼hexane

  [2 + 2] Schiff碱大环[2-（OH）-5-（R）-C 6 H 2 -1,3-（CH）2 ] [O（ 2-C 6 H 4 N）2 ]} 2（R = Me L 1 H 2，t Bu L 2 H 2，Cl L 3 H 2），是通过2，6-二羧基-4-R-苯酚与2,2'-二氨基二苯醚（2- aminophenylether），（2-NH 2 C ^ 6 ħ 4）2 O，已被确定。L n的反应ħ 2与为AlR两个当量' 3（R'=甲基，乙基），得到双核络合物烷基铝[（ALR' 2）2大号1-3〕（R = R'=我（1）中，R =吨卜，R ′= Me（2），R = Cl，R′= Me（3），R = Me，R′= Et（4），R = t Bu，R′= Et（5），R = Cl，R′ = Et（6））。对于对比研究，为AlR'的两个当量的反应3与2,2'- ethylenedianiline和2
• DIAMINE COMPOUND, AND HEAT-RESISTANT RESIN OR HEAT-RESISTANT RESIN PRECURSOR USING SAME
  申请人：TORAY INDUSTRIES, INC.

  公开号：US20170334837A1

  公开（公告）日：2017-11-23

  Provided are a photosensitive resin composition which has excellent pattern processabilities (high sensitivity and high resolution) and is excellent in chemical resistance and thermal resistance after thermally treated; a heat-resistant resin or heat-resistant resin precursor used for the composition; and a diamine compound which is a raw material of the resin and the precursor. The diamine compound is a diamine compound represented by a general formula (1).

  提供了一种具有优异图案加工性（高灵敏度和高分辨率）且在热处理后具有优异化学耐性和热耐性的光敏树脂组合物；用于该组合物的耐热树脂或耐热树脂前体；以及作为树脂和前体原料的二胺化合物。该二胺化合物是由通式（1）表示的二胺化合物。