1-iodo-4-((prop-2-ynyloxy)methyl)benzene | 1443421-03-1

• 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: 1-iodo-4-((prop-2-ynyloxy)methyl)benzene
• 英文别名: 1-Iodo-4-(prop-2-ynoxymethyl)benzene
• CAS: 1443421-03-1
• 化学式: C₁₀H₉IO
• 分子量: 272.085
• InChiKey: YUAFIWQCIGOOIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-iodo-4-((prop-2-ynyloxy)methyl)benzene 在 四(三苯基膦)钯 、 聚合甲醛 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二甲基亚砜 、 乙腈 为溶剂， 反应 15.0h， 生成 1-(3-(4-((prop-2-ynyloxy)methyl)phenyl)prop-2-ynyl)azepane
  参考文献：
  名称：

  Metal-Free Decarboxylative Three-Component Coupling Reaction for the Synthesis of Propargylamines

  摘要：

  A metal-free decarboxylative three-component coupling reaction was developed. When alkynyl carboxylic acids, paraformaldehyde, and amines were reacted in CH3CN at 65 degrees C for 3 h, the desired propargylamines were obtained in good yields. This coupling reaction also showed good yield in water solvent. This reaction showed higher selectivity toward alkynyl carboxylic acids than a terminal alkyne.

  DOI：

  10.1021/ol401358t
• 作为产物：
  描述：

  4-碘苄基溴 、 2-丙炔-1-醇 在 sodium hydroxide 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 以95%的产率得到1-iodo-4-((prop-2-ynyloxy)methyl)benzene
  参考文献：
  名称：

  Metal-Free Decarboxylative Three-Component Coupling Reaction for the Synthesis of Propargylamines

  摘要：

  A metal-free decarboxylative three-component coupling reaction was developed. When alkynyl carboxylic acids, paraformaldehyde, and amines were reacted in CH3CN at 65 degrees C for 3 h, the desired propargylamines were obtained in good yields. This coupling reaction also showed good yield in water solvent. This reaction showed higher selectivity toward alkynyl carboxylic acids than a terminal alkyne.

  DOI：

  10.1021/ol401358t

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。
• BENZYLPROPARGYLETHER AS NITRIFICATION INHIBITORS
  申请人：BASF SE

  公开号：EP3218329B1

  公开（公告）日：2019-01-09
• 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.
• [EN] BENZYLPROPARGYLETHER AS NITRIFICATION INHIBITORS<br/>[FR] ÉTHER BENZYLPROPARGYLIQUE UTILISÉ COMME INHIBITEURS DE NITRIFICATION
  申请人：BASF SE

  公开号：WO2016075289A1

  公开（公告）日：2016-05-19

  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)
• [EN] METAL-ORGANIC-FRAMEWORK ZIF-8 AS NITRIFICATION INHIBITOR<br/>[FR] STRUCTURE ORGANOMÉTALLIQUE ZIF-8 UTILISÉE EN TANT QU'INHIBITEUR DE NITRIFICATION
  申请人：BASF SE

  公开号：WO2019174974A1

  公开（公告）日：2019-09-19

  The invention relates to a fertilizer composition comprising a) zeolitic imidazolate framework ZIF-8; and b) a fertilizer selected from liquid or solid ammonium-containing inorganic fertilizers, liquid or solid organic fertilizers, and urea-containing fertilizers. It also relates to a method for producing the fertilizer composition; the use of ZIF-8 as a nitrification inhibitor; and a method for reducing nitrification.