3,4-dimethoxy-α-(2-propynyloxy)-toluene

• 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: 3,4-dimethoxy-α-(2-propynyloxy)-toluene
• 英文别名: 1,2-Dimethoxy-4-(prop-2-ynoxymethyl)benzene
• 化学式: C₁₂H₁₄O₃
• 分子量: 206.241
• InChiKey: VVGWKFXMTAPZBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-dimethoxy-α-(2-propynyloxy)-toluene 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 3,4-dimethoxybenzyloxyallene
  参考文献：
  名称：

  金（I）催化的烯丙基醚的[1,3] O-> C重排。

  摘要：

  通过开发金催化的烯丙基醚的[1,3]重排，具有记录的周转频率为4600 h（-1）（在0.05摩尔％均相金（I）催化中的催化剂浓度）。

  DOI：

  10.1039/c3cc49629e
• 作为产物：
  描述：

  3-溴丙炔 、 3,4-二甲氧基苄醇 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 、 甲苯 为溶剂， 生成 3,4-dimethoxy-α-(2-propynyloxy)-toluene
  参考文献：
  名称：

  通过“点击”化学设计基于倍半萜内酯与聚烷氧基苯的缀合物，以产生潜在的抗癌剂。

  摘要：

  使用“点击”化学的方法，开发了一种独特的方法来合成基于倍半萜内酯的独特缀合物：脱氢木香内酯和木香内酯与聚烷氧基苯。为了扩大所得偶联物的结构范围，改变了 1,2,3-三唑间隔物的长度。对于所有合成的化合物，细胞毒性特征是在肿瘤起源的细胞系（SH-SY5Y、HeLa、Hep-2、A549）和正常的 Hek 293 细胞上确定的。结果发现，以长间隔基木香内酯7a-d为基础的化合物和以短间隔基脱氢木香内酯10a-d为基础的化合物毒性作用最大。在这些偶联物的作用下细胞存活率下降可能是由于它们能够引起线粒体跨膜电位的耗散并抑制糖酵解过程，从而导致细胞死亡。获得的结果证实了以下假设：基于倍半萜内酯和聚烷氧基苯的缀合物的开发可被视为寻找潜在抗肿瘤药物的有前途的策略。

  DOI：

  10.3390/molecules27238411

文献信息

• Benzylpropargylether as nitrification inhibitors
  申请人：BASF SE

  公开号：US11021413B2

  公开（公告）日：2021-06-01

  The present invention relates to the use of compounds of formula (I) for reducing nitrification and to compositions comprising the compounds of formula (I) and to agricultural mixtures comprising at least one compound of formula (I) and at least one fertilizer. Furthermore, the present invention relates to a method for reducing nitrification comprising treating a plant growing on soil or soil substituents and/or the locus or soil or soil substituents where the plant is growing or is intended to grow with a compound of formula (I) or a composition comprising a compound of formula (I).

  本发明涉及式(I)化合物用于降低硝化的用途，涉及包含式(I)化合物的组合物，涉及包含至少一种式(I)化合物和至少一种肥料的农用混合物。此外，本发明还涉及一种降低硝化作用的方法，该方法包括用式（I）化合物或包含式（I）化合物的组合物处理生长在土壤或土壤亚基上的植物和/或植物生长或打算生长的地点或土壤或土壤亚基。
• Microwave-assisted synthesis of 3,5-disubstituted isoxazoles and evaluation of their anti-ageing activity
  作者：Maria Koufaki、Theano Fotopoulou、Marianna Kapetanou、Georgios A. Heropoulos、Efstathios S. Gonos、Niki Chondrogianni

  DOI：10.1016/j.ejmech.2014.06.046

  日期：2014.8

  One-pot uncatalysed microwave-assisted 1,3-dipolar cycloaddition reactions between in situ generated nitrile oxides and alkynes bearing protected antioxidant substituents, were regioselectively afforded 3,5-disubstituted isoxazoles. The yields were moderate, based on the starting aldehydes, while the reaction times were in general shorter than those reported in the literature. The cytoprotective and anti-ageing effect of the final deprotected compounds was evaluated in vitro, on cellular survival following oxidative challenge and in vivo, on organismal longevity using the nematode Caenorhabditis elegans. The activity of the isoxazole analogues depends on the nature and the number of the antioxidant substituents. Analogue 17 bearing a phenolic group and a 6-OH-chroman group is a promising anti-ageing agent, since it increased survival of human primary fibroblasts following treatment with H2O2 and extended C. elegans lifespan.
• BENZYLPROPARGYLETHER AS NITRIFICATION INHIBITORS
  申请人：BASF SE

  公开号：EP3218329B1

  公开（公告）日：2019-01-09
• CAPSULES COMPRISING BENZYLPROPARGYLETHERS FOR USE AS NITRIFICATION INHIBITORS
  申请人：BASF SE

  公开号：US20190276376A1

  公开（公告）日：2019-09-12

  Capsules comprising benzylpropargylethers for use as nitrification inhibitors. The capsules include a core and a shell and may further include a matrix. When including a core and a shell, the core includes benzylpropargylether compounds and the shell includes a shell material. When including a core, a shell, and a matrix, the matrix includes benzylpropargylether compounds and a matrix material. The disclosure further relates to methods of reducing nitrification using the capsules.
• DELAYED RELEASE FORMULATION OF NITRIFICATION INHIBITORS
  申请人：BASF SE

  公开号：US20210047192A1

  公开（公告）日：2021-02-18

  The invention relates to a composition comprising a) zeolitic imidazolate framework ZIF-8; and b) Compounds of formula (I) or a stereoisomer, salt, tautomer or N-oxide thereof, wherein the variables have a meaning as defined in the main body of the text. It also relates to a method for fertilization comprising treatment with the composition. Other objects are the use of ZIF-8 for reducing the evaporation rate of Compounds of formula (I); a method for production of the composition as defined comprising step a) of adsorbing Compounds of formula (I) on ZIF-8; and the use of the composition for producing granules comprising Compounds of formula (I) and a fertilizer.