1-己烯-4-炔 | 5009-11-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 中文名称: 1-己烯-4-炔
• 英文名称: 1-hexen-4-yne
• 英文别名: 1-Hexen-4-in；Hexen-(1)-in-(4)；hex-1-en-4-yne
• CAS: 5009-11-0
• 化学式: C₆H₈
• 分子量: 80.1295
• InChiKey: RIGMRFDIWRRSMS-UHFFFAOYSA-N

物化性质

• 沸点：
  80.5°C (estimate)
• 密度：
  0.7670

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2901299090

反应信息

• 作为反应物：
  描述：

  1-己烯-4-炔 在 氯仿 、 溴 作用下， 生成 2,3,5,6-tetrabromo-hex-2-ene
  参考文献：
  名称：

  Petrow, Zhurnal Obshchei Khimii, 1956, vol. 26, p. 3319,3321; engl.Ausg.S.3693,3695

  摘要：

  DOI：
• 作为产物：
  描述：

  己-4-炔-1-醇 在 glass wool 作用下， 生成 1-己烯-4-炔
  参考文献：
  名称：

  Montaigne, Annales de Chimie (Cachan, France), 1954, vol. <12> 9, p. 310,325

  摘要：

  DOI：

文献信息

• Infrared and Raman spectra, conformational stability, ab initio calculations and vibrational assignment of 1-hexen-4-yne
  作者：Gamil A. Guirgis、Xiaodong Zhu、Frederick J. Heldrich、Matthew J. Wright、James R. Durig

  DOI：10.1039/b301450a

  日期：——

  The infrared spectra (3500–50 cm−1) of the gas and solid and the Raman spectra (3500–50 cm−1) of the liquid and solid have been recorded for 1-hexen-4-yne, CH2CHCH2CCCH3. Also variable temperature studies over the temperature range −105 to −150 °C of the infrared spectra (3500–400 cm−1) of the sample dissolved in liquid krypton have been carried out. By utilizing these data from seven cis/gauche conformer

  1-hexen-4-yne, CH2CHCH2CCCH3 的气体和固体的红外光谱 (3500–50 cm-1) 和液体和固体的拉曼光谱 (3500–50 cm-1) 已被记录。还对溶解在液态氪中的样品的红外光谱（3500-400 cm-1）进行了温度范围-105 至-150 °C 的可变温度研究。通过利用来自七对顺式/左旋构象异构体的这些数据，发现顺式构象异构体是低能量形式，焓差为 233 ± 23 cm-1 (2.79 ± 0.28 kJ mol-1)。在室温下，估计存在 39 ± 2% 的左旋构象异构体。两种构象异构体的平衡几何形状和能量已通过具有与二阶全电子相关性的微扰理论 (MP2) 的从头计算进行预测，并通过具有多个基组的 B3LYP 方法进行混合密度泛函理论 (DFT) 计算。基于振动-旋转带轮廓、相对强度、拉曼去极化比和从 ab initio 和 DFT 计算中预测的频率，为
• Inhibition of cyclo-oxygenase-2 exacerbates ischaemia-induced acute myocardial dysfunction in the rabbit
  作者：Giuseppe Rossoni、Marcelo N Muscara、Giuseppe Cirino、John L Wallace

  DOI：10.1038/sj.bjp.0704585

  日期：2002.3

  The effects of treatment with a number of cyclo‐oxygenase inhibitors, (celecoxib, meloxicam, DuP‐697 and aspirin) on ischaemia‐reperfusion‐induced myocardial dysfunction were examined using an in vitro perfused rabbit heart model. Ischaemia resulted in myocardial dysfunction, as indicated by a significant increase in left ventricular end diastolic pressure and marked changes in coronary perfusion pressure and left ventricular developed pressure. In the post‐ischaemic state, coronary perfusion pressure increased dramatically, left ventricular developed pressure recovered to a small degree and there were significant increases in creatinine kinase release (indicative of myocardial damage) and prostacyclin release. Pretreatment with aspirin, or with drugs that selectively inhibit cyclo‐oxygenase‐2 (celecoxib, meloxicam and DuP‐697), resulted in a concentration‐dependent exacerbation of the myocardial dysfunction and damage. Exacerbation of myocardial dysfunction and damage was evident with 10 μM concentrations of the cyclo‐oxygenase‐2 inhibitors, which inhibited prostacyclin release but did not affect cyclo‐oxygenase‐1 activity (as measured by whole blood thromboxane synthesis). NCX‐4016, a nitric oxide‐releasing aspirin derivative, significantly reduced the myocardial dysfunction and damage caused by ischaemia and reperfusion. Beneficial effects were observed even at a concentration (100 μM) that significantly inhibited prostacyclin synthesis by the heart. The results suggest that prostacyclin released by cardiac tissue in response to ischaemia and reperfusion is derived, at least in part, from cyclo‐oxygenase‐2. Cyclo‐oxygenase‐2 plays an important protective role in a setting of ischaemia‐reperfusion of the heart. British Journal of Pharmacology (2002) 135, 1540–1546.; doi:10.1038/sj.bjp.0704585

  <按列表类型“显式标签”> - 使用体外兔心灌注模型，研究了多种环氧化酶抑制剂（塞来昔布、美洛昔康、杜普697和阿司匹林）对缺血-再灌注引起的心肌功能障碍的影响。 - 缺血导致心肌功能障碍，表现为左心室舒张末期压力显著升高，冠脉灌注压和左心室发展压发生明显变化。在缺血后状态，冠脉灌注压急剧增加，左心室发展压略有恢复，肌酸激酶释放（心肌损伤指标）和前列腺素释放显著增加。 - 与阿司匹林或选择性抑制环氧化酶-2（COX-2）的药物（塞来昔布、美洛昔康和杜普697）预处理后，心肌功能障碍和损伤呈浓度依赖性加重。在COX-2抑制剂浓度为10 μM时，心肌功能障碍和损伤明显加重，此时抑制了前列腺素释放，但未影响环氧化酶-1（COX-1）活性（以全血血栓烷合成为指标）。 - NCX-4016（一种NO释放型阿司匹林衍生物）显著降低了缺血和再灌注引起的心肌功能障碍和损伤。即使在100 μM浓度下（显著抑制心脏前列腺素合成），仍观察到其有益效果。 英国药理学杂志 (2002) 135, 1540–1546.; doi:10.1038/sj.bjp.0704585
• Danilkina,L.P.; D'yakonov,I.A., Journal of Organic Chemistry USSR (English Translation), 1966, vol. 2, p. 1 - 7
  作者：Danilkina,L.P.、D'yakonov,I.A.

  DOI：——

  日期：——
• [EN] SYNTHESIS OF PHEROMONES AND RELATED MATERIALS VIA OLEFIN METATHESIS<br/>[FR] SYNTHÈSE DE PHÉROMONES ET DE MATÉRIAUX APPARENTÉS PAR MÉTATHÈSE D'OLÉFINES
  申请人：PROVIVI INC

  公开号：WO2018150379A3

  公开（公告）日：2018-11-08
• Lasne, Marie-Claire; Ripoll, Jean-Louis, Bulletin de la Societe Chimique de France, 1981, vol. <II> 2, # 9-10, p. 340 - 344
  作者：Lasne, Marie-Claire、Ripoll, Jean-Louis

  DOI：——

  日期：——