(E)-4-(4-prop-2-ynoxyphenyl)but-3-en-2-one | 1017571-93-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-4-(4-prop-2-ynoxyphenyl)but-3-en-2-one
• CAS: 1017571-93-5
• 化学式: C₁₃H₁₂O₂
• 分子量: 200.237
• InChiKey: LYAZATOQQNQYAB-SNAWJCMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-4-(4-prop-2-ynoxyphenyl)but-3-en-2-one 、 4-叠氮基-7-氯喹啉 在 copper(II) sulfate 作用下， 以 水 、 叔丁醇 为溶剂， 以86%的产率得到(E)-4-(4-((1-(7-chloroquinolin-4-yl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)but-3-en-2-one
  参考文献：
  名称：

  Synthesis, docking studies and biological evaluation of 1H-1,2,3-triazole-7-chloroquinoline derivatives against SARS-CoV-2

  摘要：

  DOI：

  10.1016/j.bioorg.2023.106882
• 作为产物：
  描述：

  (3E)-4-(4-羟基苯基)-3-丁烯-2-酮 、 3-溴丙炔 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以75%的产率得到(E)-4-(4-prop-2-ynoxyphenyl)but-3-en-2-one
  参考文献：
  名称：

  Synthesis, docking studies and biological evaluation of 1H-1,2,3-triazole-7-chloroquinoline derivatives against SARS-CoV-2

  摘要：

  DOI：

  10.1016/j.bioorg.2023.106882

文献信息

• Double cascade reactions based on the Barbas dienamine platform: highly stereoselective synthesis of functionalized cyclohexanes for cardiovascular agents
  作者：Dhevalapally B. Ramachary、Y. Vijayendar Reddy、B. Veda Prakash

  DOI：10.1039/b718122a

  日期：——

  amino acid proline catalyzed the three- and five-component cascade olefination-Diels-Alder-epimerization and olefination-Diels-Alder-epimerization-olefination-hydrogenation reactions of readily available precursors enones 1a-i, arylaldehydes 2a-k, alkyl cyanoacetates 3a-e and Hantzsch ester 9 to furnish highly substituted prochiral 1-cyano-4-oxo-2,6-diaryl-cyclohexanecarboxylic acid alkyl esters 6 and

  氨基酸脯氨酸催化容易获得的前体烯酮1a-i，芳醛2a-k，氰基乙酸烷基酯3a的三组分和五组分级联烯化-Diels-Alder-烯化和烯化-Diels-Alder-烯化-烯化-氢化反应。 -e和Hantzsch酯9提供高度取代的手性1-氰基-4-氧代-2,6-二芳基-环己烷甲酸烷基酯6和1-氰基-4-（氰基-烷氧基羰基-甲基）-2,6-二芳基-环己烷羧酸烷基酯10以高度非对映选择性的方式，具有优异的收率。前手性顺式异构体6是合成心血管药物和催眠活性产物的极好原料。
• NITRIFICATION INHIBITORS
  申请人：BASF SE

  公开号：US20170036969A1

  公开（公告）日：2017-02-09

  The present invention relates to novel nitrification inhibitors of formula I. Moreover, the invention relates to the use of these novel nitrification inhibitors for reducing nitrification, as well as agrochemical mixtures and compositions comprising the nitrification inhibitors. Further encompassed by the present invention are methods for reducing nitrification comprising the treatment of plants, soil and/or loci with said nitrification inhibitors, and methods for treating a fertilizer or a composition by applying said nitrification inhibitor.
• Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides
  申请人：BASF SE

  公开号：US20170181435A1

  公开（公告）日：2017-06-29

  A composition including (a) at least one (thio)phosphoric acid triamide (T) according to the general formula (Ia) R a1 R a2 N—P(X)(NH 2 ) 2 (Ia) wherein X is oxygen or sulfur; R a1 is a C 1 to C 20 alkyl, C 3 to C 20 cycloalkyl, C 6 to C 20 aryl, or dialkylaminocarbonyl group; R a2 is H, or R a1 and R a2 together with the nitrogen atom linking them define a 5- or 6-membered saturated or unsaturated heterocyclic radical, which optionally comprises 1 or 2 further heteroatoms selected from the group consisting of nitrogen, oxygen, and sulfur; and (b) at least one biopesticide.
• Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides
  申请人：BASF SE

  公开号：US20170223964A1

  公开（公告）日：2017-08-10

  A composition including (a) at least one (thio)phosphoric acid triamide (T) according to the general formula (Ia) R a1 R a2 N—P(X)(NH 2 ) 2 (Ia) wherein X is oxygen or sulfur; R a1 is a C 1 to C 20 alkyl, C 3 to C 20 cycloalkyl, C 6 to C 20 aryl, or dialkylaminocarbonyl group; R a2 is H; or R a1 and R a2 together with the nitrogen atom linking them define a 5- or 6-membered saturated or unsaturated heterocyclic radical, which optionally comprises 1 or 2 further heteroatoms selected from the group consisting of nitrogen, oxygen, and sulfur; and (b) at least one specific herbicide.
• US9968092B2
  申请人：——

  公开号：US9968092B2

  公开（公告）日：2018-05-15