(E)-6,6-dimethyl-3-hydroxy-1-phenyl-1-hepten-4-yne | 905946-15-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醇
• 英文名称: (E)-6,6-dimethyl-3-hydroxy-1-phenyl-1-hepten-4-yne
• 英文别名: (e)-6,6-Dimethyl-3-hydroxy-1-phenyl-1-hepten-4-yne；(E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol
• CAS: 905946-15-8
• 化学式: C₁₅H₁₈O
• 分子量: 214.307
• InChiKey: CDWZZRDGYWYLMC-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (E)-6,6-dimethyl-3-hydroxy-1-phenyl-1-hepten-4-yne 在 manganese(IV) oxide 、 sodium hydrogensulfide 作用下， 以 二氯甲烷 、 乙二醇甲醚 为溶剂， 反应 17.2h， 生成 6-tert-butyl-2,3-dihydro-2-phenylthiopyran-4-one
  参考文献：
  名称：

  Synthesis of 2,3-Dihydrothiopyran-4-ones from 3-Oxo-1-pentene-4-ynes

  摘要：

  3-Oxo-1-pentene-4-ynes were converted with sodium sulfide or hydrogensulfide to give 2,6-disubstituted 2,3-dihydrothiopyran-4-one derivatives. The starting materials were prepared in two steps from terminal alkynes and alpha,beta-unsaturated aldehydes.

  DOI：

  10.1007/s00706-006-0571-4
• 作为产物：
  描述：

  反式肉桂醛 、 3,3-二甲基-1-丁炔 在 正丁基锂 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 以85%的产率得到(E)-6,6-dimethyl-3-hydroxy-1-phenyl-1-hepten-4-yne
  参考文献：
  名称：

  Synthesis of unsymmetrically 2,6-disubstituted 2,3-dihydrothiopyran-4-ones

  摘要：

  A series of 2,3-dihydrothiopyran-4-one derivatives with unequal substituents in the 2- and 6-position have been prepared by double conjugate addition of sulfide to enynones. These starting materials were accessed in two steps from terminal alkynes and alpha,beta-unsaturated aldehydes. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.05.080

文献信息

• Synthesis of unsymmetrically 2,6-disubstituted 2,3-dihydrothiopyran-4-ones
  作者：Anna Rosiak、Jens Christoffers

  DOI：10.1016/j.tetlet.2006.05.080

  日期：2006.7

  A series of 2,3-dihydrothiopyran-4-one derivatives with unequal substituents in the 2- and 6-position have been prepared by double conjugate addition of sulfide to enynones. These starting materials were accessed in two steps from terminal alkynes and alpha,beta-unsaturated aldehydes. (c) 2006 Elsevier Ltd. All rights reserved.
• Synthesis of 2,3-Dihydrothiopyran-4-ones from 3-Oxo-1-pentene-4-ynes
  作者：Anna Rosiak、Ralf M. Müller、Jens Christoffers

  DOI：10.1007/s00706-006-0571-4

  日期：2007.1

  3-Oxo-1-pentene-4-ynes were converted with sodium sulfide or hydrogensulfide to give 2,6-disubstituted 2,3-dihydrothiopyran-4-one derivatives. The starting materials were prepared in two steps from terminal alkynes and alpha,beta-unsaturated aldehydes.