4-苯氧基-1-苯基丁-2-炔-1-醇 | 32833-65-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-苯氧基-1-苯基丁-2-炔-1-醇
• 英文名称: 4-phenoxy-1-phenylbut-2-yn-1-ol
• 英文别名: 1-Phenoxy-4-phenyl-2-butin-4-ol；(4-Hydroxy-4-phenyl-but-2-inyl)-phenylether；4-Phenoxy-1-phenyl-but-2-yn-1-ol
• CAS: 32833-65-1
• 化学式: C₁₆H₁₄O₂
• 分子量: 238.286
• InChiKey: ZVNHZPOILOYASI-UHFFFAOYSA-N

物化性质

• 熔点：
  46-47 °C
• 沸点：
  416.0±40.0 °C(Predicted)
• 密度：
  1.161±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-苯氧基-1-苯基丁-2-炔-1-醇 在 N-碘代丁二酰亚胺 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 以78%的产率得到4-苯氧基-1-苯基丁-2-炔-1-酮
  参考文献：
  名称：

  通过硫代基团的1,2-迁移，对4-硫代-but-2-yn-1-ols进行亲电环化：有效合成2,4-二卤-3-硫代取代的呋喃

  摘要：

  开发了一种通过亲电子环化和4-硫代丁-2-yn-1-醇硫基的1,2-迁移来合成2,4-二卤-3-硫代呋喃的简便有效方法。由于起始材料的容易获得和简单方便的操作，这种合成路线将在有机合成中具有潜在的实用性。

  DOI：

  10.1016/j.tetlet.2007.11.092
• 作为产物：
  描述：

  苯酚 在 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 4-苯氧基-1-苯基丁-2-炔-1-醇
  参考文献：
  名称：

  铁（III）催化的多米诺·克莱森重排/β-萘基取代的烯丙基甲基醚的区域和化学选择性好氧脱氢环化

  摘要：

  开发了FeCl 3催化的烯丙基克莱森重排/区域和化学选择性好氧脱氢环化多米诺反应，提供了范围广泛的2-芳基/烷基，3-（取代乙烯基）萘[2,1- b ]呋喃在95–130°C下以原子经济和阶梯经济的方式收率。机理研究表明，FeCl 3催化剂负责反应中的高区域选择性和化学选择性。发射蓝色的产物的量子产率为0.95。该反应易于以克规模进行，并且还证明了产物的合成应用。

  DOI：

  10.1021/acs.orglett.8b03941

文献信息

• Electrophilic Carbocyclization of Aryl Propargylic Alcohols: A Facile Synthesis of Diiodinated Carbocycles and Heterocycles
  作者：Hai-Tao Zhu、Ke-Gong Ji、Fang Yang、Li-Jing Wang、Shu-Chun Zhao、Shaukat Ali、Xue-Yuan Liu、Yong-Min Liang

  DOI：10.1021/ol1029194

  日期：2011.2.18

  readily synthesized by electrophilic carbocyclization of aryl propargylic alcohols in moderate to good yields under mild conditions. The resulting diiodide can be further exploited by subsequent oxidizing and coupling reactions. Both the iodine anion and cation generated from I2 are used effectively. The presence of a trace amount of water is essential for this electrophilic cyclization.

  二碘代碳环和氧杂环可以通过在温和条件下以中等至良好收率对芳基炔丙醇进行亲电碳环化而容易地合成。所得的二碘化物可通过随后的氧化和偶联反应进一步利用。由I 2产生的碘阴离子和阳离子均得到有效利用。微量水的存在对于该亲电环化是必不可少的。
• Vereshchagin,L.I. et al., Journal of Organic Chemistry USSR (English Translation), 1971, vol. 7, # 5, p. 923 - 927
  作者：Vereshchagin,L.I. et al.

  DOI：——

  日期：——
• 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.