2-methyl-5-decyne-4,7-diol | 1353055-33-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-methyl-5-decyne-4,7-diol
• 英文别名: 2-Methyldec-5-yne-4,7-diol；2-methyldec-5-yne-4,7-diol
• CAS: 1353055-33-0
• 化学式: C₁₁H₂₀O₂
• 分子量: 184.279
• InChiKey: CAKAGGVPCFJCPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 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：

  2-methyl-5-decyne-4,7-diol 在 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 反应 46.0h， 生成 (2RS,5SR)-2-isobutyl-5-propyl-1,6,11-tris[(4-methylphenyl)sulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-triyne 、 (2RS,5RS)-2-isobutyl-5-propyl-1,6,11-tris[(4-methylphenyl)sulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-triyne
  参考文献：
  名称：

  Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study

  摘要：

  A variety of new nitrogen-containing 15-membered triacetylenic macrocycles with one or two alkyl substituents in a propargylic position have been efficiently synthesized and completely characterized. These macrocyclic systems undergo [2 + 2 + 2] cycloaddition reactions, leading to the corresponding fused tetracycles with a benzene core on treatment with Wilkinson's catalyst, [RhCl(PPh3)(3)]. The effects of alkyl chains have been evaluated on both the efficiency of the reaction and the conformational and structural analysis of the reactants.

  DOI：

  10.1021/om200927f
• 作为产物：
  描述：

  1-己炔-3-醇 、 异戊醛 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 以53%的产率得到2-methyl-5-decyne-4,7-diol
  参考文献：
  名称：

  Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study

  摘要：

  A variety of new nitrogen-containing 15-membered triacetylenic macrocycles with one or two alkyl substituents in a propargylic position have been efficiently synthesized and completely characterized. These macrocyclic systems undergo [2 + 2 + 2] cycloaddition reactions, leading to the corresponding fused tetracycles with a benzene core on treatment with Wilkinson's catalyst, [RhCl(PPh3)(3)]. The effects of alkyl chains have been evaluated on both the efficiency of the reaction and the conformational and structural analysis of the reactants.

  DOI：

  10.1021/om200927f

文献信息

• Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study
  作者：Sandra Brun、Anna Torrent、Anna Pla-Quintana、Anna Roglans、Xavier Fontrodona、Jordi Benet-Buchholz、Teodor Parella

  DOI：10.1021/om200927f

  日期：2012.1.9

  A variety of new nitrogen-containing 15-membered triacetylenic macrocycles with one or two alkyl substituents in a propargylic position have been efficiently synthesized and completely characterized. These macrocyclic systems undergo [2 + 2 + 2] cycloaddition reactions, leading to the corresponding fused tetracycles with a benzene core on treatment with Wilkinson's catalyst, [RhCl(PPh3)(3)]. The effects of alkyl chains have been evaluated on both the efficiency of the reaction and the conformational and structural analysis of the reactants.