hex-5-yn-1-yltriphenylphosphonium iodide | 1448250-21-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: hex-5-yn-1-yltriphenylphosphonium iodide
• 英文别名: Hex-5-ynyl(triphenyl)phosphanium;iodide
• CAS: 1448250-21-2
• 化学式: C₂₄H₂₄P*I
• 分子量: 470.333
• InChiKey: IKRRYTKPHUMKKO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.79
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  hex-5-yn-1-yltriphenylphosphonium iodide 在 sodium hexaflorophosphate 作用下， 以 甲醇 、 水 为溶剂， 以53%的产率得到hex-5-yn-1-yltriphenylphosphonium hexafluorophosphate(V)
  参考文献：
  名称：

  铑催化炔烃加氢的详细动力学分析†

  摘要：

  使用电喷雾电离质谱法（ESI-MS）进行的连续监测表明，威尔金森氏催化剂将带有电荷标签的炔烃氢化成相应的烯烃，并仅以稍慢的速率氢化为烷烃。在反应过程中未观察到含铑中间体，这与确定的机理相一致，后者指出三苯基膦从Rh（PPh 3）3 Cl的初始解离是反应的关键步骤。建立了与实验数据紧密匹配的数值模型，并正确预测了反应对添加过量PPh 3的反应。

  DOI：

  10.1039/c3dt51212f
• 作为产物：
  描述：

  6-碘-1-己炔 、 三苯基膦 以 甲苯 为溶剂， 反应 72.0h， 以98%的产率得到hex-5-yn-1-yltriphenylphosphonium iodide
  参考文献：
  名称：

  铑催化炔烃加氢的详细动力学分析†

  摘要：

  使用电喷雾电离质谱法（ESI-MS）进行的连续监测表明，威尔金森氏催化剂将带有电荷标签的炔烃氢化成相应的烯烃，并仅以稍慢的速率氢化为烷烃。在反应过程中未观察到含铑中间体，这与确定的机理相一致，后者指出三苯基膦从Rh（PPh 3）3 Cl的初始解离是反应的关键步骤。建立了与实验数据紧密匹配的数值模型，并正确预测了反应对添加过量PPh 3的反应。

  DOI：

  10.1039/c3dt51212f

文献信息

• Lipid probes and uses thereof
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US10168342B2

  公开（公告）日：2019-01-01

  Disclosed herein are methods, compositions, probes, assays and kits for identifying a lipid binding protein as a drug binding target. Also disclosed herein are methods, compositions, and probes for mapping a ligand binding site on a lipid binding protein, identification of lipid binding proteins, generating drug-lipid binding protein profiles, high throughput drug screening, and identification of drugs as potential lipid binding protein ligands.

  披露了用于识别脂质结合蛋白作为药物结合靶点的方法、组合物、探针、检测和试剂盒。此外，还披露了用于绘制脂质结合蛋白上的配体结合位点、识别脂质结合蛋白、生成药物-脂质结合蛋白轮廓、高通量药物筛选以及识别作为潜在脂质结合蛋白配体的药物的方法、组合物和探针。
• Rhodium-Catalyzed Selective Partial Hydrogenation of Alkynes
  作者：Jingwei Luo、Robin Theron、Laura J. Sewell、Thomas N. Hooper、Andrew S. Weller、Allen G. Oliver、J. Scott McIndoe

  DOI：10.1021/acs.organomet.5b00322

  日期：2015.6.22

  The cationic rhodium complex [Rh((PPr3)-Pr-c)(2)(eta(6)-PhF)](+)[B3,5-(CF3)(2)C6H3}(4)](-) ((PPr3)-Pr-c = triscyclopropylphosphine, PhF = fluorobenzene) was used as a catalyst for the hydrogenation of the charge-tagged alkyne [Ph3P(CH2)(4)C2H](+)[PF6](-). Pressurized sample infusion electrospray ionization mass spectrometry (PSI-ESI-MS) was used to monitor reaction progress. Experiments revealed that the reaction is first order in catalyst and first order in hydrogen, so under conditions of excess hydrogen the reaction is pseudo-zero order. Alkyne hydrogenation was 40 times faster than alkene hydrogenation. The turnover-limiting step is proposed to be oxidative addition of hydrogen to the alkyne (or alkene)-bound complex. Addition of triethylamine caused a dramatic reduction in rate, suggesting a deprotonation pathway was not operative.
• LIPID PROBES AND USES THEREOF
  申请人：Cravatt Benjamin F.

  公开号：US20160282369A1

  公开（公告）日：2016-09-29

  Disclosed herein are methods, compositions, probes, assays and kits for identifying a lipid binding protein as a drug binding target. Also disclosed herein are methods, compositions, and probes for mapping a ligand binding site on a lipid binding protein, identification of lipid binding proteins, generating drug-lipid binding protein profiles, high throughput drug screening, and identification of drugs as potential lipid binding protein ligands.