6-methyl-1-phenylhepta-2,4-diyne-1,6-diol | 2475-14-1

• 分子结构分类: 有机化合物
• 英文名称: 6-methyl-1-phenylhepta-2,4-diyne-1,6-diol
• 英文别名: 7-Phenyl-2-methyl-heptadiin-3,5-diol-2,7
• CAS: 2475-14-1
• 化学式: C₁₄H₁₄O₂
• 分子量: 214.264
• InChiKey: JNUXCBHLJVCGBB-UHFFFAOYSA-N

物化性质

• 沸点：
  388.7±42.0 °C(predicted)
• 密度：
  1.166±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-methyl-1-phenylhepta-2,4-diyne-1,6-diol 在 碲化氢 、 sodium tetrahydroborate 、 三氟化硼乙醚 、 silver(I) acetate 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 4.0h， 生成 5,5'-dimethyl-10,15,20-triphenyl-21,23-ditelluraporphotrimethene
  参考文献：
  名称：

  Synthesis of 21,23-Selenium- and Tellurium-Substituted 5-Porphomethenes, 5,10-Porphodimethenes, 5,15-Porphodimethenes, and Porphotrimethenes and Their Interactions with Mercury

  摘要：

  The 3+1 condensation of symmetrical 16-Selena/telluratripyrranes with symmetrical selenophene-2,5-diols/tellurophene-2,5-diols in the presence of BF3-etheratre or BF3-methanol followed by oxidation with DDQ gave 5,10-porphodimethenes, whereas the process with unsymmetrical selenophene-2,5-diols/tellurophene-2,5-diols gave 5-porphomethenes. In addition, the reaction of unsymmetrical 16-Selena/telluratripyrranes with symmetrical selenophene-2,5-diols/tellurophene-2,5-diols gave the corresponding porphotrimethenes, whereas the process with unsymmetrical selenophene-2,5-diols/tellurophene-2,5-diols gave the 5,15-porphodimethenes. The structures of different products were characterized by IR, H-1 and C-13 NMR, (HH)-H-1-H-1 COSY, CHN analysis, and mass spectrometry. The binding of mercury with the calix[4]phyrins mentioned above had been observed in the decreasing order of porphodimethenes > porphomethenes > porphotrimethenes by UV-vis and H-1 NMR spectroscopy.

  DOI：

  10.1021/acs.joc.5b00007
• 作为产物：
  描述：

  2,7-二甲基-3,5-辛二炔-2,7-二醇 在 potassium carbonate 作用下， 生成 6-methyl-1-phenylhepta-2,4-diyne-1,6-diol
  参考文献：
  名称：

  Chemistry of polyenic and polyacetylenic compounds

  摘要：

  DOI：

  10.1007/bf00905220

文献信息

• Palladium-Catalyzed Bond Reorganization of 1,3-Diynes: An Entry to Diverse Functionalized 1,5-Dien-3-ynes
  作者：Wanqing Wu、Yang Gao、Huanfeng Jiang、Yubing Huang

  DOI：10.1021/jo400276e

  日期：2013.5.3

  A mild and efficient method for the synthesis of functionalized 1,5-dien-3-ynes from 1,3-diynes under PdII catalysis is described. The process allows quick and atom-economical assembly of various dihalo-, haloacyl-, and diacyl-substituted 1,5-dien-3-ynes in high yields. The switch of selectivity in the formation of these dienyne products can be controlled by the choice of catalysis system and reaction

  描述了在Pd II催化下从1,3-二炔合成功能化的1,5-二烯-3-炔的温和而有效的方法。该方法允许以高收率快速且原子经济地组装各种二卤代，卤代酰基和二酰基取代的1，5-二烯-3-炔。通过选择催化体系和反应条件，可以控制这些二烯炔产物形成过程中的选择性转换。
• Tikhonova, L. G.; Serebryakova, E. S.; Vereshchagin, L. I., Journal of Organic Chemistry USSR (English Translation), 1982, vol. 18, # 8, p. 1415 - 1419
  作者：Tikhonova, L. G.、Serebryakova, E. S.、Vereshchagin, L. I.

  DOI：——

  日期：——
• TIXONOVA, L. G.;SEREBRYAKOVA, E. S.;VERESHCHAGIN, L. I., ZH. ORGAN. XIMII, 1982, 18, N 8, 1619-1623
  作者：TIXONOVA, L. G.、SEREBRYAKOVA, E. S.、VERESHCHAGIN, L. I.

  DOI：——

  日期：——