1-(4-(pent-4-en-1-ynyl)phenyl)ethanone | 1415029-97-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-(pent-4-en-1-ynyl)phenyl)ethanone
• 英文别名: 1-(4-Pent-4-en-1-ynylphenyl)ethanone；1-(4-pent-4-en-1-ynylphenyl)ethanone
• CAS: 1415029-97-8
• 化学式: C₁₃H₁₂O
• 分子量: 184.238
• InChiKey: KBVIUTNLCVJCAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-(4-乙酰基苯基)丙炔酸 在 盐酸 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 sodium nitrite 作用下， 以 二乙二醇二甲醚 、 水 为溶剂， 反应 18.5h， 生成 1-(4-(pent-4-en-1-ynyl)phenyl)ethanone
  参考文献：
  名称：

  通过与烯丙基胺和芳基炔酸通过脱羧反应合成芳基烯丙基炔烃

  摘要：

  摘要 烯丙基炔酸酯是由烯丙基胺与炔酸通过脱氨基酯化反应合成的。烯丙基炔酸酯与 Pd(dba)2 和 Xantphos 在 digylme 中于 110 °C 反应 12 小时，以良好的产率提供所需的脱羧烯丙基炔烃。图形概要

  DOI：

  10.1080/00397911.2020.1726398

文献信息

• Nickel-catalyzed decarboxylative coupling reaction of alkynyl carboxylic acids and allyl acetates
  作者：Juseok Choe、Jiyoung Yang、Kyungho Park、Thiruvengadam Palani、Sunwoo Lee

  DOI：10.1016/j.tetlet.2012.10.005

  日期：2012.12

  The coupling reaction of aryl alkynyl carboxylic acids and allyl acetates was carried out in the presence of nickel catalyst to produce the allyl alkynes in good yields. The optimized condition is that alkynyl carboxylic acid (1.0 equiv), allyl acetate (2.0 equiv), Ni(OAc)(2)center dot 4H(2)O (10 mol %), AgOAc (10 mol %), and zinc (1.0 equiv) were reacted at 100 degrees C for 0.5 h. In addition, when allyl alcohol was employed instead of allyl acetate, the desired product was obtained in good yield. In addition, when the reaction was carried out in the presence of base such as DBU and Cs2CO3, the allene compounds were formed in good yield. (C) 2012 Elsevier Ltd. All rights reserved.
• Synthesis of aryl allyl alkynes via reaction with allyl amine and aryl alkynoic acids through decarboxylation
  作者：Jieun Lee、Kye Chun Nam、Sunwoo Lee

  DOI：10.1080/00397911.2020.1726398

  日期：2020.4.2

  Abstract Allyl alkynoic esters were synthesized by the reaction of allyl amines and alkynoic acids via deaminative esterification. The reaction of allyl alkynoic esters with Pd(dba)2 and Xantphos in digylme at 110 °C for 12 h afforded the desired decarboxylated allyl alkynes in good yields. Graphical Abstract

  摘要 烯丙基炔酸酯是由烯丙基胺与炔酸通过脱氨基酯化反应合成的。烯丙基炔酸酯与 Pd(dba)2 和 Xantphos 在 digylme 中于 110 °C 反应 12 小时，以良好的产率提供所需的脱羧烯丙基炔烃。图形概要