trans,trans-1,3,5,7-Octatetraene | 3725-31-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: trans,trans-1,3,5,7-Octatetraene
• 英文别名: (E,E)-1,3,5,7-Octatetraene；(3E,5E)-octa-1,3,5,7-tetraene
• CAS: 3725-31-3
• 化学式: C₈H₁₀
• 分子量: 106.167
• InChiKey: VXQUABLSXKFKLO-KQQUZDAGSA-N

物化性质

• 熔点：
  50 °C
• 沸点：
  89-93 °C(Press: 113 Torr)
• 密度：
  0.769±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  trans,trans-1,3,5,7-Octatetraene 生成 (1Z,3Z,5Z)-Cycloocta-1,3,5-triene
  参考文献：
  名称：

  BLOCK E.; ASLAM MOHAMMAD; ESWARAKRISHNAN VENKATACHALAM; GEBREYES KASSU; H+, J. AMER. CHEM. SOC., 108,(1986) N 15, 4568-4580

  摘要：

  DOI：
• 作为产物：
  描述：

  (2E,4E,6E)-2,4,6-octatrien-1-ol 在 吡啶 、 palladium diacetate 、 三苯基膦 作用下， 以 乙二醇二乙醚 为溶剂， 生成 trans,trans-1,3,5,7-Octatetraene
  参考文献：
  名称：

  (E)-1,3,5-己三烯和 (3E, 5E)-1,3,5,7-辛四烯通过钯催化从烯丙酸酯中去除乙酸制备

  摘要：

  钯配合物催化从乙酸（2E，4E）-2，4-己二烯基乙酸酯和（2E，4E，6E）-2，4，6-辛三烯基乙酸酯中消除乙酸，分别立体选择性地提供了标题共轭多烯。

  DOI：

  10.1246/bcsj.54.2541

文献信息

• Olefin metathesis for metal incorporation: Preparation of conjugated ruthenium-containing complexes and polymers
  作者：Sarah L. Bolton、Danielle E. Schuehler、Xiang Niu、Lakshmi Gopal、Michael B. Sponsler

  DOI：10.1016/j.jorganchem.2006.08.085

  日期：2006.12

  PCy3)2Cl2 (n = 1, 2), were prepared by reacting 2 equiv. of the Grubbs first-generation catalyst (PCy3)2C12Ru(CHPh)) with 1 equiv. of the appropriate polyene (1,3,5-hexatriene for n = 1 and 1,3,5,7-octatetraene for n = 2). Use of excess hexatriene led to the formation of the monoruthenium complex (PCy3)2C12RuCHCH CHCHCH2. The mono- and di-ruthenium complexes exhibited marked differences in their spectroscopic

  用于金属结合的烯烃复分解反应（OMMI）用于将钌化学计量地连接到大小多烯上。 通过使2当量反应制备双核络合物（PCy 3）2 C1 2 RuCH（CHCH）n CHRu（PCy 3）2 Cl 2（n＝ 1、2）。1当量的Grubbs第一代催化剂（PCy 3）2 C1 2 Ru（CHPh）的合成。合适的多烯（1,3,5-己三烯用于Ñ  = 1和1,3,5,7- octatetraene为Ñ  = 2）。使用过量的己三烯导致形成单钌配合物（PCy 3）2 C1 2 RuCHCH CHCHCH 2。单钌和二钌配合物除Z – E异构化速率外，在光谱和电化学性质上也表现出显着差异。观察到PCy 3在单络合物的末端CH 2上的亲核攻击，导致异构化和phospho产物。尽管起始速率降低，但也已将OMMI策略扩展到第二代催化剂。反应性更高的催化剂（H 2 IMes）RuCl 2（CHPh）（3-溴吡啶）2
• Spangler, Charles W.; Little, David A., Journal of the Chemical Society. Perkin transactions I, 1982, # 10, p. 2379 - 2386
  作者：Spangler, Charles W.、Little, David A.

  DOI：——

  日期：——
• Rotationally Resolved Electronic Spectra of <i>trans</i>,<i>trans</i>-Octatetraene and Its Derivatives
  作者：J. F. Pfanstiel、D. W. Pratt、B. A. Tounge、R. L. Christensen

  DOI：10.1021/jp9838285

  日期：1999.4.1

  Described herein are the rotationally resolved one-photon fluorescence excitation spectra of several vibronic bands in the S-1 <-- S-0 electronic transitions of three linear polyenes in the gas phase, 1,3,5,7-octatetraene (OT), I,3,5,7-nonatetraene (NT), and 2,4,6,8-decatetraene (DT). Several of the spectra are significantly perturbed by an apparent centrifugal distortion in the S-1 state of OT, owing to the high frequency of rotations parallel to a and the low frequency of an in-plane bending mode (v(48)), by Coriolis coupling in the S-1 state of NT, involving v(48) and a nearby methyl torsional level, and by torsion-rotation coupling in the S-1 states of NT and DT, owing to a significant reduction in the excited-state torsional barrier(s) compared to the ground state. Nonetheless, the inertial parameters of eight different S-0 and S-1 vibronic levels have been determined, from which it is concluded that the carriers of the spectra are in all cases the trans,trans isomers. The important role of v(48) as a promoting mode for S-1-S-2 vibronic coupling, the source of the S-1 <-- S-0 oscillator strength, is confirmed. Finally, the measured differences in the rotational constants of the S-0 and S-1 states (e.g., Delta A = 2532, Delta B = - 11.7, and Delta C = -11.0 MHz for the vibronic origin of OT) provide new information about the changes in geometry that occur when the photon is absorbed.
• ABRAMSON S.; FUCHS B., TETRAHEDRON LETT., 1980, 21, NO 12, 1165-1168
  作者：ABRAMSON S.、 FUCHS B.

  DOI：——

  日期：——
• YAMAMOTO KEIJI; SUZUKI SHIGEAKI; TSUJI JIRO, BULL. CHEM. SOC. JAP., 1981, 54, NO 8, 2541-2542
  作者：YAMAMOTO KEIJI、 SUZUKI SHIGEAKI、 TSUJI JIRO

  DOI：——

  日期：——