2-丙炔酸钾 | 1968-46-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-丙炔酸钾
• 英文名称: potassium propiolate
• 英文别名: propiolate potassium；propiolic acid ; potassium-salt；Propiolsaeure; Kalium-Salz；potassium 2-propynoate；potassium;prop-2-ynoate
• CAS: 1968-46-3
• 化学式: C₃HO₂*K
• 分子量: 108.138
• InChiKey: GLNAULDUXCVLKU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.63
• 重原子数：
  6
• 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：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  RuCl(PPh₃)₂Cp 、 2-丙炔酸钾 以 甲醇 为溶剂， 反应 3.0h， 以67%的产率得到Ru(C≡CH)(PPh₃)₂Cp
  参考文献：
  名称：

  钌中心上丙酸的轻松脱羧及相关化学

  摘要：

  RC≡CCO的自发脱羧2 H（R = H，PH）发生在与的RuCl（PP）的Cp（PP =（PPH反应3）2，DPPE），得到的[Ru（═C═CHR）（PP）的Cp] +。可能的机制脱羧计算研究（DFT）表明，该反应导致CO的挤出2和形成的[Ru（═C═CH 2）（DPPE）的Cp] +最有可能是由阴离子HC≡CCO的初始相互作用发生2 -用的RuCl（DPPE）通过羧酸酯与Ru的协调的Cp，随后通过形成η的2 -alkyne中间体，其重排至η 1与CO的损失-乙炔基物种2。乙炔基的质子化得到母体亚乙烯基。相反，HC CCO 2 R（R = Me，Et）与RuCl（PP）Cp和[NH 4 ] PF 6在甲醇中的反应给出了[Ru {═C（OMe）CH 2（CO 2 R）} ]（PP）的Cp +，通过MeOH中的攻击中C形成α中间亚乙烯基的[Ru {═C═CH（CO的2 R）}（PP）的Cp]

  DOI：

  10.1021/om300157w

文献信息

• Spectroscopy of Hydrothermal Reactions 22. The Effects of Cations on the Decarboxylation Kinetics of Trifluoroacetate, Cyanoacetate, Propiolate, and Malonate Ions
  作者：Davide Miksa、Jun Li、Thomas B. Brill

  DOI：10.1021/jp020941t

  日期：2002.11.21

  The effect of Group 1 counterions on the decarboxylation rate of four carboxylate ions (trifluoroacetate, propiolate, cyanoacetate, and malonate) was determined in water at 140-280 degreesC and 275 bar. The decarboxylation kinetics were determined in real time by using IR spectroscopy and a titanium cell flow-reactor with sapphire windows. The complexity of the reaction of CF3CO2- necessitated additional postreaction studies by H-1 and F-19 NMR spectroscopy and F- ion electrochemistry. Batch mode reactions in a titanium tube reactor were employed for the latter studies. The CF3H product of CF3CO2- decomposed, liberating F- ions. The cation effect for CF3CO2- is caused primarily by the reaction of F- with the. Group I cations in the order Li+ > Na+ > K+..., which changed the ionic strength. The rate of decarboxylation of cyanoacetate was unaffected by the cation, whereas the Li+ ion slowed the rate of decarboxylation of propiolate, perhaps because of complexation with propiolate. These results were compared with the previously investigated malonate system. Where a cation effect was observed, the effect could be attributed to some form of ion pairing, but in each case the details of the interaction differ slightly.
• [EN] LITHOGRAPHY COMPOSITIONS AND METHODS FOR FORMING RESIST PATTERNS AND/OR MAKING SEMICONDUCTOR DEVICES<br/>[FR] COMPOSITIONS DE LITHOGRAPHIE ET PROCÉDÉS DE FORMATION DE MOTIFS DE RÉSINE PHOTOSENSIBLE ET/OU DE FABRICATION DE DISPOSITIFS À SEMI-CONDUCTEUR
  申请人：[en]THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK

  公开号：WO2023158848A2

  公开（公告）日：2023-08-24

  The present disclosure relates to compounds and use thereof as film or lithographic compositions such as EUV photoresist films. More particularly, embodiments of the disclosure provide lithography compositions and methods of depositing radiation sensitive films, which can be used for patterning applications with UV light, EUV light or electron-beam radiation to form high resolution patterns with low line width roughness. In embodiments, novel ligands are provided for forming radiation sensitive film compositions.
• Facile Decarboxylation of Propiolic Acid on a Ruthenium Center and Related Chemistry
  作者：John H. Bowie、Michael I. Bruce、Mark A. Buntine、Alexander S. Gentleman、David C. Graham、Paul J. Low、Gregory F. Metha、Cassandra Mitchell、Christian R. Parker、Brian W. Skelton、Allan H. White

  DOI：10.1021/om300157w

  日期：2012.8.13

  corresponding alkynyls. Attempted deprotonation of [Ru(═C═CH2)(dppe)Cp]+ with LiBu gave the binuclear cyclobutenylidinium complex [Ru(dppe)Cp}2(μ-C4H3)]+. The X-ray diffraction molecular structures of [Ru(dppe)Cp}2(μ-C4H3)]PF6 (11), [Ru═C(OMe)CH2(CO2Me)}(dppe)Cp]PF6 (13), RuC(OMe)═CH(CO2R)}(dppe)Cp (R ═ Me (15), Et (16)) and Ru(C≡CCO2R)(dppe)Cp (R = Me (21), Et (22)) are described.

  RC≡CCO的自发脱羧2 H（R = H，PH）发生在与的RuCl（PP）的Cp（PP =（PPH反应3）2，DPPE），得到的[Ru（═C═CHR）（PP）的Cp] +。可能的机制脱羧计算研究（DFT）表明，该反应导致CO的挤出2和形成的[Ru（═C═CH 2）（DPPE）的Cp] +最有可能是由阴离子HC≡CCO的初始相互作用发生2 -用的RuCl（DPPE）通过羧酸酯与Ru的协调的Cp，随后通过形成η的2 -alkyne中间体，其重排至η 1与CO的损失-乙炔基物种2。乙炔基的质子化得到母体亚乙烯基。相反，HC CCO 2 R（R = Me，Et）与RuCl（PP）Cp和[NH 4 ] PF 6在甲醇中的反应给出了[Ru ═C（OMe）CH 2（CO 2 R）} ]（PP）的Cp +，通过MeOH中的攻击中C形成α中间亚乙烯基的[Ru ═C═CH（CO的2 R）}（PP）的Cp]