Acetylendiol | 16005-17-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Acetylendiol
• 英文别名: dihydroxyacetylene；Acetylenediol；ethyne-1,2-diol
• CAS: 16005-17-7
• 化学式: C₂H₂O₂
• 分子量: 58.0367
• InChiKey: ZUQAPLKKNAQJAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  Acetylendiol 、 (1R,5S,6S)-6-[(R)-1-hydroxyethyl]-1-methyl-2-{(2S,4S)-[(3R)-pyrrolidin-3-yl-(R)-hydroxymethyl]pyrrolidin-4-ylthio}-1-carbapen-2-em-3-carboxylic acid hydrochloride 在 3,5-二甲基-1-己炔-3-醇 作用下， 以” as well as “Surfynol (trade name) 440” and “Surfynol (trade name) 465” produced by Nissin Chemical Industry Co的产率得到3,5-二甲基-1-己炔-3-醇
  参考文献：
  名称：

  Dye ink for ink-jet recording, ink set including the same, ink-jet recording apparatus, and ink-jet recording method

  摘要：

  一种用于喷墨记录的墨水组包括一种含有水溶性染料和水的染料墨水和一种含有自分散颜料和水的颜料墨水；其中，染料墨水进一步含有具有内酰胺结构的聚合物；颜料墨水进一步含有具有表面活性能力的物质，表面活性能力物质的混合量被设置在一定比例内，以满足当颜料墨水一滴的量在22 pL到28 pL范围内时，打印在普通纸张上的一个点线的线宽不小于115微米的条件。

  公开号：

  US08889762B2
• 作为产物：
  描述：

  2,3-二羟基-2-环丙烯-1-酮 以 gaseous matrix 为溶剂， 生成 Acetylendiol
  参考文献：
  名称：

  Maier, Guenther; Rohr, Christine, Liebigs Annalen, 1996, # 3, p. 307 - 309

  摘要：

  DOI：

文献信息

• Dye Ink for Ink-Jet Recording, Ink Set Including the Same, Ink-Jet Recording Apparatus, and Ink-Jet Recording Method
  申请人：IWAMURA Yuko

  公开号：US20100056704A1

  公开（公告）日：2010-03-04

  An ink set for ink-jet recording includes a dye ink containing a water-soluble dye and water and a pigment ink containing a self-dispersible pigment and water; wherein the dye ink further contains a polymer having a lactam structure; and the pigment ink further contains a substance having a surface active ability, a blending amount of the substance having the surface active ability being set in a ratio to fulfill a condition that a line width of a one-dot line is not less than 115 μm when an amount of one liquid droplet of the pigment ink to be discharged is set to be within a range of 22 pL to 28 pL and the one-dot line is printed on a regular paper sheet.

  一种墨水喷墨记录的墨水组合包括一种含有水溶性染料和水的染料墨水和一种含有自分散颜料和水的颜料墨水;其中，染料墨水还包含具有内酰胺结构的聚合物;颜料墨水还包含具有表面活性能力的物质，表面活性能力物质的混合量与一点线的线宽不小于115μm的条件相对应，当颜料墨水的一滴液滴的数量设置在22 pL至28 pL的范围内，且这个一点线印在普通纸张上。
• Molecular structure and infrared spectra of 3,4-dihydroxy-3-cyclobutene-1,2-dione; experimental matrix isolation and theoretical Hartree-Fock and post Hartree-Fock study
  作者：Hanna Rostkowska、Maciej J. Nowak、Leszek Lapinski、Dayle Smith、Ludwik Adamowicz

  DOI：10.1016/s1386-1425(97)00030-9

  日期：1997.7

  The infrared spectra of 3,4-dihydroxy-3-cyclobutene-1,2-dione (squaric acid) isolated in low-temperature Ar and N-2 matrices are reported. The comparison of the experimental spectra with those theoretically calculated at HF/6-31 + + G**, MP2/6-31G** and DFT(B3-LYP)/6-31++G** levels shows that the molecules of the compound isolated in low-temperature matrix adopt the structure with C-2v symmetry. This structure is different from the one which was found in the crystal. Theoretical calculations of relative energies of C-2v and C-s structures predict the C-2v conformation to be lower in energy by 8 kJ mol(-1). Good agreement between the experimental and theoretical spectra allowed for a reliable assignment of the observed IR absorption bands. (C) 1997 Elsevier Science B.V.