4,6-二羟基-2,3-二甲基苯甲醛 | 2990-31-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4,6-二羟基-2,3-二甲基苯甲醛
• 英文名称: 2,4-dihydroxy 5,6-dimethylbenzaldehyde
• 英文别名: 2,4-dihydroxy-5,6-dimethylbenzaldehyde；4,6-dihydroxy-2,3-dimethylbenzaldehyde；4,6-dihydroxy-2,3-dimethyl-benzaldehyde；4,6-Dihydroxy-2,3-dimethyl-benzaldehyd；2,4-Dihydroxy-5,6-dimethyl-benzaldehyd；2,4-Dihydroxy-5,6-dimethylbenzaldehyd；Benzaldehyde, 4,6-dihydroxy-2,3-dimethyl-
• CAS: 2990-31-0
• 化学式: C₉H₁₀O₃
• 分子量: 166.177
• InChiKey: LQIYIUJTJNQJTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,6-二羟基-2,3-二甲基苯甲醛 在 sodium chlorite 、 sodium dihydrogenphosphate 、 2-甲基-2-丁烯 、 偶氮二甲酸二异丙酯 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 生成 Methyl 4,6-bis(methoxymethoxy)-2,3-dimethylbenzoate
  参考文献：
  名称：

  A Formal Synthesis of Psymberin

  摘要：

  A formal synthesis of psymberin (irciniastatin A) is presented. Notable features of the synthesis include the chemo-, regio-, and stereoselective oxidation of a 1,3-disubstituted allene, a configuration-dependent spirodiepoxide opening, the efficient syntheses of functionalized trans-2,6-disubstituted pyrans, and the union of a highly functionalized aldehyde with a pentasubstituted aryl homoenolate to give a dihydroisocumarin.

  DOI：

  10.1021/ol063143k
• 作为产物：
  描述：

  5-methylorsellinic acid 在 nonribosomal peptide synthase-like protein ATEG_03630 from Saccharomyces cerevisiae BJ₅₄₆₄-NpgA strain 、 5’-三磷酸腺苷 、 还原型辅酶II(NADPH)四钠盐 、 magnesium chloride 作用下， 以 aq. buffer 为溶剂， 生成 4,6-二羟基-2,3-二甲基苯甲醛
  参考文献：
  名称：

  Aryl-aldehyde Formation in Fungal Polyketides: Discovery and Characterization of a Distinct Biosynthetic Mechanism

  摘要：

  Aryl-aldehydes are a common feature in fungal polyketides, which are considered to be exclusively generated by the R domain of nonreducing polyketide synthases (NR-PKSs). However, by cloning and heterologous expression of both cryptic NR-PKS and nonribosomal peptide synthase (NRPS)-like genes from Aspergillus terreus in Saccharomyces cerevisiae, we identified a distinct mechanism for aryl-aldehyde formation in which a NRPS-like protein activates and reduces an aryl-acid produced by the accompanying NR-PKS to an aryl-aldehyde. Bioinformatics study indicates that such a mechanism may be widely used throughout the fungi kingdom.

  DOI：

  10.1016/j.chembiol.2013.12.005

文献信息

• New heteroarotinoid compounds
  申请人：Adir et Cie

  公开号：US04975455A1

  公开（公告）日：1990-12-04

  Compounds of general formula (I): ##STR1## in which: R denotes a hydrogen atom, a halogen atom or a hydroxy, lower alkyl, lower alkyloxy, carboxyl, (lower alkyloxy)carbonyl, (lower arylalkyloxy)carbonyl, aminocarbonyl, (lower mono- or dialkyl)aminocarbonyl or (lower arylalkyl)aminocarbonyl group, an aminocarbonyl group N-substituted with a heterocyclic radical, or a thio, (lower alkyl)thio, sulfonyl or (lower alkyl)sulfonyl group, R.sub.1, R.sub.2, R.sub.3 and R.sub.4, which may be identical or different, denote a hydrogen atom, a halogen atom or a lower alkyl, lower alkenyl, lower alkyloxy or lower alkenyloxy group, optionally substituted with one or more halogen atoms, their isomers, enantiomers, diastereoisomers and also, when R denotes a carboxyl, their addition salts with a pharmaceutically acceptable base and, when R contains a basic group, their addition salts with a pharmaceutically acceptable acid.

  通式（I）的化合物：##STR1##其中：R表示氢原子、卤原子或羟基、低烷基、低烷氧基、羧基、（低烷氧基）羰基、（低芳基烷氧基）羰基、氨基羰基、（低烷基或双烷基）氨基羰基或（低芳基烷基）氨基羰基、带有杂环基团的N-取代氨基羰基，或硫基、（低烷基）硫基、磺酰基或（低烷基）磺酰基，R.sub.1、R.sub.2、R.sub.3和R.sub.4，可能相同也可能不同，表示氢原子、卤原子或低烷基、低烯基、低烷氧基或低烯氧基，可选地取代一个或多个卤原子，它们的异构体、对映体、非对映体异构体，以及当R表示羧基时，它们与药学上可接受的碱形成的加合盐，以及当R含有碱性基团时，它们与药学上可接受的酸形成的加合盐。
• Three-Input Logic Gates with Potential Applications for Neuronal Imaging
  作者：Kenneth S. Hettie、Jessica L. Klockow、Timothy E. Glass

  DOI：10.1021/ja501211v

  日期：2014.4.2

  Convenient methods for the direct visualization of neurotransmitter trafficking would bolster investigations into the development of neurodegenerative diseases. Here, tunable fluorescent molecular logic gates with applications to neuronal imaging have been developed. The three-input AND molecular logic gates are based on the coumarin-3-aldehyde scaffold and designed to give a turn-on fluorescence response upon

  直接可视化神经递质贩运的便捷方法将支持对神经退行性疾病发展的调查。在这里，已开发出可应用于神经元成像的可调荧光分子逻辑门。三输入 AND 分子逻辑门基于香豆素-3-醛支架，旨在通过胞吐作用从分泌囊泡中共同释放谷氨酸和锌时发出开启荧光响应。光谱研究表明，在模拟胞吐作用的条件下，荧光增强了 11 倍。支架的甲基化用于优化传感器对所需激发波长的光谱曲线。介绍了阐明传感器-分析物相互作用的结合研究。
• Collins et al., Journal of the Chemical Society, 1950, p. 1876,1880
  作者：Collins et al.

  DOI：——

  日期：——
• 538. Organic fluoro-compounds. Part III. 2 : 4 : 6-Trinitro-3-hydroxybenzotrifluoride—a new reagent for the characterisation of amines and pyranol bases
  作者：W. B. Whalley

  DOI：10.1039/jr9500002792

  日期：——
• Better,J.; Gatenbeck,S., Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1979, vol. 33, p. 235 - 238
  作者：Better,J.、Gatenbeck,S.

  DOI：——

  日期：——