3,5,5-三甲基-己-1-炔-3-醇 | 872311-14-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,5,5-三甲基-己-1-炔-3-醇
• 英文名称: 3,5,5-trimethyl-hex-1-yn-3-ol
• 英文别名: 3,5,5-Trimethyl-hex-1-in-3-ol；3,5,5-Trimethylhex-1-yn-3-ol；3,5,5-trimethylhex-1-yn-3-ol
• CAS: 872311-14-3
• 化学式: C₉H₁₆O
• 分子量: 140.225
• InChiKey: RVDGPDCTBHVNFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 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：

  3,5,5-三甲基-己-1-炔-3-醇 在 乙醚 、 硫酸 、 mercury(II) sulfate 作用下， 生成 2,3,5,5-tetramethyl-hexane-2,3-diol
  参考文献：
  名称：

  Hickinbottom et al., Journal of the Chemical Society, 1954, p. 2529,2531

  摘要：

  DOI：
• 作为产物：
  描述：

  4,4-二甲基-2-戊酮 、 乙炔钠 在 氨 作用下， 生成 3,5,5-三甲基-己-1-炔-3-醇
  参考文献：
  名称：

  Hickinbottom et al., Journal of the Chemical Society, 1954, p. 2529,2531

  摘要：

  DOI：

文献信息

• Unusual Effect of Impurities on the Spectral Characterization of 1,2,3-Triazoles Synthesized by the Cu-Catalyzed Azide–Alkyne Click Reaction
  作者：Artem N. Fakhrutdinov、Bogdan Ya. Karlinskii、Mikhail E. Minyaev、Valentine P. Ananikov

  DOI：10.1021/acs.joc.1c00943

  日期：2021.9.3

  signals have been thoroughly studied; it was shown that impurities of paramagnetic metal ions in small amounts lead to this effect. Here, we want to deliver a warning message to the community: when all NMR signals in a spectrum are distorted, this situation is easy to detect. However, if only a few signals are “selectively” removed by impurities and the rest of the spectrum appears normal, this situation

  由于分离物质中存在金属杂质，因此对通过 Cu 催化的点击反应合成的产物的分析可能很复杂，这可能会“选择性地”扭曲 NMR 光谱中的某些信号。在1 H 和13中都发现了如此明显的杂质效应许多 1,4-取代的 1,2,3-三唑的 C NMR 光谱。通过额外的产品处理、更彻底的纯化或在低温下记录光谱，可以记录完整的未失真光谱。对信号失真、消失的原因进行了深入研究；结果表明，少量顺磁性金属离子杂质会导致这种效果。在这里，我们想向社区传递一个警告信息：当频谱中的所有 NMR 信号都失真时，这种情况很容易被发现。然而，如果只有少数信号被杂质“选择性”去除，而其余的频谱看起来正常，这种情况就更难注意到了。因此，可能会得到关于化学结构的错误结论。在这里，我们展示了 Cu 的例子2+离子，但如果有机分子具有能够配位的官能团（杂原子或多键），则可以预期对其他顺磁性金属污染物也有类似的影响。
• Heilmann et al., Bulletin de la Societe Chimique de France, 1951, p. 972
  作者：Heilmann et al.

  DOI：——

  日期：——
• INK JET INK AND INK SET
  申请人：WHEELER JAMES WALTER

  公开号：US20100255201A1

  公开（公告）日：2010-10-07

  The present disclosure provides an ink jet ink comprising a dye, a vehicle, and a surfactant combination comprising: (a) an acetylene alcohol having the generic structure: wherein R and R 1 are C1-C10 linear or branched alkyl groups or hydrogen, and wherein only one hydrogen on either R or R 1 is replaced by a hydroxy group; and (b) a siloxane surfactant having the generalized structure wherein E is —CH 3 or —O—Si(CH 3 ) 3 , G=—CH 2 —, or —CH 2 —CH 2 —CH 2 —, x, y, and z are independently about 0 to about 40, and y+z is at least 1; and wherein the acetylene alcohol is present in the amount of at least about 0.3%, and the siloxane surfactant is present in the amount of at least about 0.03 to about 0.5 percent, based on the weight of the ink composition. The inks provide good color on a range of media and can be loaded into used inkjet pens without volume reduction.
• US8256884B2
  申请人：——

  公开号：US8256884B2

  公开（公告）日：2012-09-04
• [EN] INK JET INK AND INK SET<br/>[FR] ENCRE À JET D'ENCRE ET JEU D'ENCRES
  申请人：DU PONT

  公开号：WO2009124157A1

  公开（公告）日：2009-10-08

  The present disclosure provides an ink jet ink comprising a dye, a vehicle, and a surfactant combination comprising: (a) an acetylene alcohol having the generic structure: Formula (I) wherein R and R1 are C1 -C10 linear or branched alkyl groups or hydrogen, and wherein only one hydrogen on either R or R1 is replaced by a hydroxy group; and (b) a siloxane surfactant having the generalized structure Formula (II) wherein E is -CH3 or -O-Si(CH3)3, G = -CH2 -, or -CH2-CH2-CH2-, x, y, and z are independently about O to about 40, and y+z is at least 1; and wherein the acetylene alcohol is present in the amount of at least about 0.3%, and the siloxane surfactant is present in the amount of at least about 0.03 to about 0.5 percent, based on the weight of the ink composition. The inks provide good color on a range of media and can be loaded into used inkjet pens without volume reduction.