2-(4-乙炔基苯基)-1,3-二恶烷 | 259110-12-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 中文名称: 2-(4-乙炔基苯基)-1,3-二恶烷
• 中文别名: 1,3-二噁烷,2-(4-乙炔基苯基)-
• 英文名称: 1,3-Dioxane, 2-(4-ethynylphenyl)-
• 英文别名: 2-(4-ethynylphenyl)-1,3-dioxane
• CAS: 259110-12-8
• 化学式: C₁₂H₁₂O₂
• mdl: MFCD18805655
• 分子量: 188.226
• InChiKey: CTPUOIOIVOKZLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-乙炔基苯基)-1,3-二恶烷 在 4-二甲氨基吡啶 、 正丁基锂 作用下， 生成 Acetic acid 3-(4-[1,3]dioxan-2-yl-phenyl)-1-methyl-1-(4-trimethylsilanylethynyl-phenyl)-prop-2-ynyl ester
  参考文献：
  名称：

  Synthesis of the First [34]Allenophane: 1,3,10,12,19,21,28,30-Octamethyl[3.3.3.3]paracyclophan-1,2,10,11,19,20,28,29-octaene

  摘要：

  DOI：

  10.1002/(sici)1521-3773(19991216)38:24<3721::aid-anie3721>3.0.co;2-9
• 作为产物：
  描述：

  4-三甲基硅乙炔基苯甲醛 在 甲醇 、 potassium carbonate 作用下， 生成 2-(4-乙炔基苯基)-1,3-二恶烷
  参考文献：
  名称：

  Synthesis of the First [34]Allenophane: 1,3,10,12,19,21,28,30-Octamethyl[3.3.3.3]paracyclophan-1,2,10,11,19,20,28,29-octaene

  摘要：

  DOI：

  10.1002/(sici)1521-3773(19991216)38:24<3721::aid-anie3721>3.0.co;2-9

文献信息

• New labelling strategies for the sensitive detection of analytes
  申请人：baseclick GmbH

  公开号：EP2270228A1

  公开（公告）日：2011-01-05

  The present invention relates to methods and reagents for detecting analytes, e.g. nucleic acids. The new methods and reagents allow a simple and sensitive detection even in complex biological samples.

  本发明涉及检测核酸等分析物的方法和试剂。新的方法和试剂即使在复杂的生物样品中也能进行简单而灵敏的检测。
• Organometallic complexes for nonlinear optics
  作者：Stephanie K. Hurst、Nigel T. Lucas、Marie P. Cifuentes、Mark G. Humphrey、Marek Samoc、Barry Luther-Davies、Inge Asselberghs、Roel Van Boxel、André Persoons

  DOI：10.1016/s0022-328x(01)01077-4

  日期：2001.8

  The acetylenes 4-HC drop CC6H4R [R=CHOC(O)Me}(2) (1), CHO(CH2)(3)O (2)], ruthenium complexes [Ru(4-C drop CC6H4R)(PPh3)(2)- (eta -C5H5)] [R = CHOC(O)Me}(2) (3), CHO (4)], [Ru(n-C=CHC6H4R)Cl(dppm)(2)]PF6 [n = 4, R = CHO(CH2)(3)O (7); R = CHO, n = 3 (11), 2 (15)], and [Ru(n-C drop CC6H4R)Cl(dppm)(2)] [n = 4, R = CHO(CH2)(3)O (8); n = 3, R = CHO (12)], and gold complexes [Au(n-C drop CC6H4R)(L)] [n = 4, R = CHO, L = PPh3 (5), PMe3 (6); n = 4, R = CHO(CH2)(3)O, L = PPh3 (9), PMe3 (10); n = 3 R = CHO, L = PPh3 (13), PMe3 (14)] have been prepared, and 9 characterized by a single crystal X-ray diffraction study. Electrochemical data for the ruthenium complexes reveal reversible or quasi-reversible (alkynyl complexes) or irreversible (vinylidene complexes) processes assigned to the Ru-II/III couple; the effect on E-1/2 values of the various structural modifications across 3, 4, 7, 8, 11, 12 and 15 are discussed. The molecular quadratic and cubic optical nonlinearities of 1-15 have been determined by the hyper-Rayleigh scattering technique at 1064 mn and the Z-scan technique at 800 nm. respectively; beta values increase on increasing the acceptor strength, proceeding from 3-acceptor-substituted to 4-acceptor-substituted arylalkynyl ligand, and an increasing phosphine donor strength, whereas gamma values increase on increasing the number of phosphine aryl groups (i.e. increasing delocalization) proceeding from PMe3 to PPh3-containing complex. (C) 2001 Published by Elsevier Science B.V.
• NEW LABELLING STRATEGIES FOR THE SENSITIVE DETECTION OF ANALYTES
  申请人：baseclick GmbH

  公开号：EP1877415B1

  公开（公告）日：2010-09-01
• LABELLING STRATEGIES FOR THE SENSITIVE DETECTION OF ANALYTES
  申请人：Carell Thomas

  公开号：US20090215635A1

  公开（公告）日：2009-08-27

  The present invention relates to methods and reagents for detecting analytes, e.g. nucleic acids. The new methods and reagents allow a simple and sensitive detection even in complex biological samples.
• US8129315B2
  申请人：——

  公开号：US8129315B2

  公开（公告）日：2012-03-06