1-[(E)-but-1-en-3-ynyl]-4-nitrobenzene | 241152-25-0

• 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: 1-[(E)-but-1-en-3-ynyl]-4-nitrobenzene
• CAS: 241152-25-0
• 化学式: C₁₀H₇NO₂
• 分子量: 173.171
• InChiKey: TWDGNIYVYLJCDL-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[(E)-but-1-en-3-ynyl]-4-nitrobenzene 以 二氯甲烷 为溶剂， 生成 [Ru(hydridotris(pyrazolyl)borate)(CO)(PPh3)(CH=CHCH=CHC6H4-NO2-p)]
  参考文献：
  名称：

  Synthesis and Second-Order NLO Properties of Donor−Acceptor σ-Alkenyl Ruthenium Complexes

  摘要：

  The compounds p-R-C(6)H(4)-CHCH-CC-TMS (R = NO(2), N(CH(3))(2), OCH(3)) were obtained from Wittig olefination of TMS-CC-CH(2)PPh(3)Br with p-R-C(6)H(4)-CHO in THF, which can be desilylated to give p-R-C(6)H(4)-CHCH-CC-H. Treatment of RuHCl(CO)(PPh(3))(3) with p-R-C(6)H(4)-CHCH-CC-H produced RuCl(CO)(PPh(3))(2)(CHCH-CHCH-C(6)H(4)-R-p). The later complexes reacted with 4-phenylpyridine (PhPy), 2,6-(Ph(2)PCH(2))(2)C(5)H(3)N (PMP), and KTp (Tp = hydridotris(pyrazolyl)borate) to give RuCl(CO)(PhPy)(PPh(3))(2) (CHCH-CHCH-C(6)H(4)-R-p), RuCl(CO)(PMP)(CHCH-CHCH-C(6)H(4)-R-p), and RuTp(CO)(PPh(3)) (CHCH-CHCH-C(6)H(4)-R-p), respectively. The structure of RuTp(CO)(PPh(3))(CHCH-CHCH-C(6)H(4)-R-p) (R = N(CH(3))(2), 7b) has been confirmed by X-ray diffraction. The NLO properties (hyper-Rayleigh scattering measurements) of the complexes 5, 6, and 7 reveal that changes induced in the ligands of ruthenium (5a-7a or 5b,6b) have a large impact on the hyperpolarizability.

  DOI：

  10.1021/om0605736
• 作为产物：
  描述：

  (Triphenyl)(propargyl)phosphonium bromide 生成 1-[(E)-but-1-en-3-ynyl]-4-nitrobenzene
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Sequential hydrozirconation/Pd-catalyzed cross coupling of acyl chlorides towards conjugated (2<i>E</i>,4<i>E</i>)-dienones
  作者：Benedikt Kolb、Daniela Silva dos Santos、Sanja Krause、Anna Zens、Sabine Laschat

  DOI：10.3762/bjoc.19.17

  日期：——

  Dienones are challenging building blocks in natural product synthesis due to their high reactivity and complex synthesis. Based on previous work and own initial results, a new stereospecific sequential hydrozirconation/Pd-catalyzed acylation of enynes with acyl chlorides towards conjugated (2E,4E)-dienones is reported. We investigated a number of substrates with different alkyl and aryl substituents

  由于其高反应性和复杂的合成，二烯酮在天然产物合成中具有挑战性。基于之前的工作和自己的初步结果，报道了一种新的立体有择顺序氢化锆化反应/Pd 催化的烯炔与酰氯酰化反应生成共轭 (2 E ,4 E )-二烯酮。我们在一锅反应中研究了许多具有不同烷基和芳基取代基的底物，结果表明无论取代模式如何，反应都会导致立体选择性形成（≥95%（2 E , 4 E)) 在温和条件下各自的二酮。发现具有烷基链的烯炔比相应的芳基取代的类似物具有更高的产率，而酰氯的变化对反应没有显着影响。合成应用通过非天然和天然含二烯酮的萜烯的形成得到证明，例如 β-紫罗兰酮，可通过 4 个步骤获得，总产率为 6%。
• Diacetylenes having liquid crystal phases
  申请人：UNIVERSITY PATENTS, INC.

  公开号：EP0137679A1

  公开（公告）日：1985-04-17

  Dialkenyl diacetylenes, especially divinyl diacetylenes having liquid crystalline phases, are provided. In accordance with certain preferred embodiments, diacetylenes having liquid crystalline phases are provided which may be polymerized while in the liquid crystalline state to yield conjugated polymers. The processes for the polymerization of such liquid crystalline diacetylenes and for the elaboration of useful optical, electro-optical, electro:acoustic, mechanical, thermal, structural, waveguiding and other articles are also disclosed.

  本发明提供了二乙烯基二乙炔，特别是具有液晶相的二乙烯基二乙炔。根据某些优选的实施方案，提供了具有液晶相的二乙炔，可在液晶状态下进行聚合，生成共轭聚合物。本发明还公开了聚合这种液晶二乙炔以及制造有用的光学、电光、电声、机械、热学、结构、波导和其它制品的工艺。
• Copper-Initiated Regiodivergent Chloropentafluorosulfanylation of 1,3-Enynes under Substrate Control
  作者：Lin Wang、Wenhui Qin

  DOI：10.1021/acs.orglett.4c01768

  日期：2024.6.14

  using SF5Cl has been developed. The regioselectivity is dictated by the structural and substitution patterns of 1,3-enynes, enabling facile access to three classes of SF5-containing products: propargylic chlorides, 1,3-dienes, and allenes. The reaction systems involve radical species, where the transfer of a chlorine atom from SF5Cl to a carbon radical is considered the predominant pathway. Diverse types

  已开发出使用 SF 5 Cl 的铜催化 1,3-烯炔区域发散型氯五氟磺酰化策略。区域选择性由 1,3-烯炔的结构和取代模式决定，从而能够轻松获得三类含 SF 5的产品：炔丙基氯、1,3-二烯和丙二烯。反应系统涉及自由基物质，其中氯原子从 SF 5 Cl 转移到碳自由基被认为是主要途径。通过简单的官能团转换可以合成不同类型的 SF 5 - 结构单元。
• ——
  作者：GARITO A. F.

  DOI：——

  日期：——
• US4615962A
  申请人：——

  公开号：US4615962A

  公开（公告）日：1986-10-07