3,3-dimethyl-but-1-ene-1,1,2-tricarbonitrile | 71591-38-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,3-dimethyl-but-1-ene-1,1,2-tricarbonitrile
• 英文别名: 3,3-Dimethyl-but-1-en-1,1,2-tricarbonitril；tert.-Butyltricyanoethylen；1-Butene-1,1,2-tricarbonitrile, 3,3-dimethyl-；3,3-dimethylbut-1-ene-1,1,2-tricarbonitrile
• CAS: 71591-38-3
• 化学式: C₉H₉N₃
• 分子量: 159.191
• InChiKey: HLLPSAQSLQEWFP-UHFFFAOYSA-N

物化性质

• 熔点：
  77-78 °C(Solv: hexane (110-54-3))
• 沸点：
  267.1±20.0 °C(Predicted)
• 密度：
  1.057±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,3-dimethyl-but-1-ene-1,1,2-tricarbonitrile 、 2,3-二甲基-1,3-丁二烯 生成 2-tert-butyl-4,5-dimethyl-cyclohex-4-ene-1,1,2-tricarbonitrile
  参考文献：
  名称：

  Cyanocarbon Chemistry. VII.¹ Tricyanoethylenes

  摘要：

  DOI：

  10.1021/ja01544a057
• 作为产物：
  描述：

  丙二腈 、 特戊酰氰 在 β-丙氨酸 作用下， 以 苯 为溶剂， 生成 3,3-dimethyl-but-1-ene-1,1,2-tricarbonitrile
  参考文献：
  名称：

  Kopranenkov,V.N. et al., Journal of general chemistry of the USSR, 1979, vol. 49, p. 1233 - 1236

  摘要：

  DOI：

文献信息

• SECOND-ORDER NONLINEAR OPTICAL COMPOUND AND NONLINEAR OPTICAL ELEMENT COMPRISING THE SAME
  申请人：Otomo Akira

  公开号：US20120172599A1

  公开（公告）日：2012-07-05

  Problem to Be Solved: to provide a chromophore having a far superior nonlinear optical activity to conventional chromophores and to provide a nonlinear optical element comprising said chromophore. Solution: a chromophore comprising a donor structure D, a π-conjugated bridge structure B, and an acceptor structure A, the donor structure D comprising an aryl group substituted with a substituted oxy group; and a nonlinear optical element comprising said chromophore.

  问题要解决的是：提供一种具有比传统色团更优越的非线性光学活性的色团，并提供包括该色团的非线性光学元件。解决方案是：一种包括给体结构D、π-共轭桥结构B和受体结构A的色团，其中给体结构D包括一个被取代氧基取代的芳基；以及包括该色团的非线性光学元件。
• FLUOROGENIC COMPOUNDS CONVERTED TO FLUOROPHORES BY PHOTOCHEMICAL OR CHEMICAL MEANS AND THEIR USE IN BIOLOGICAL SYSTEMS
  申请人：TWIEG ROBERT J.

  公开号：US20120190098A1

  公开（公告）日：2012-07-26

  Fluorophores derived from photoactivatable azide-pi-acceptor fluorogens or from a thermal reaction of an azide-pi-acceptor fluorogen with an alkene or alkyne are disclosed. Fluorophores derived from a thermal reaction of an alkyne-pi-acceptor fluorogen with an azide are also disclosed. The fluorophores can readily be activated by light and can be used to label a biomolecule and imaged on a single-molecule level in living cells.

  本发明揭示了从光活化偶氮-π-受体荧光原子或从偶氮-π-受体荧光原子与烯烃或炔烃进行热反应中得到的荧光原子。还揭示了从炔基-π-受体荧光原子与偶氮进行热反应中得到的荧光原子。这些荧光原子可以轻松地被光激活，并可用于标记生物分子，并在单分子水平上在活细胞中成像。
• Second-order nonlinear optical compound and nonlinear optical element comprising the same
  申请人：NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY

  公开号：US10754064B2

  公开（公告）日：2020-08-25

  Problem to Be Solved: to provide a chromophore having a far superior nonlinear optical activity to conventional chromophores and to provide a nonlinear optical element comprising said chromophore. Solution: a chromophore comprising a donor structure D, a π-conjugated bridge structure B, and an acceptor structure A, the donor structure D comprising an aryl group substituted with a substituted oxy group; and a nonlinear optical element comprising said chromophore.

  有待解决的问题：提供一种发色团，其非线性光学活性远远优于传统发色团，并提供一种包含所述发色团的非线性光学元件。 解决方案：一种发色团，包括供体结构 D、π-共轭桥结构 B 和受体结构 A，供体结构 D 包括被取代氧基取代的芳基；以及一种包含所述发色团的非线性光学元件。
• Electro-optic polymer
  申请人：NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY

  公开号：US11236188B2

  公开（公告）日：2022-02-01

  An object of the present invention is to provide a novel electro-optic polymer. Another object of the present invention is to provide a novel electro-optic polymer with a low alicyclic methacrylate monomer content. The polymer according to the present invention is a polymer comprising (a) a base polymer having a reactive group (A), (b) an electro-optic molecule having a plurality of reactive groups (B), and a bond (C) formed by reaction of the reactive group (A) with the plurality of reactive groups (B), the bond (C) being at least one type of bond selected from the group consisting of a (thio)ester bond, a (thio)urethane bond, a (thio)urea bond and a (thio)amide bond.

  本发明的一个目的是提供一种新型电光聚合物。本发明的另一个目的是提供一种脂环族甲基丙烯酸酯单体含量低的新型电光聚合物。根据本发明的聚合物是一种聚合物，包括：(a) 具有活性基团 (A) 的基体聚合物；(b) 具有多个活性基团 (B) 的电光分子、以及由活性基团 (A) 与多个活性基团 (B) 反应形成的键 (C)，该键 (C) 至少是一种选自(硫代)酯键、(硫代)聚氨酯键、(硫代)脲键和(硫代)酰胺键的键。
• Heterocyclic Dye Compounds For In Vivo Imaging And Diagnosis Of Alzheimer's Disease
  申请人：Bacskai Brian

  公开号：US20090087376A1

  公开（公告）日：2009-04-02

  The present invention relates to the identification of compounds that are suitable for imaging amyloid deposits in living patients. The invention relates, in part, to a method of imaging amyloid deposits in brain in vivo to allow antemortem diagnosis of Alzheimer's disease. The present invention also relates to therapeutic uses for such compounds, as exemplified by compounds of the formula (1) in which Y is independently S, O, or N and m is 1, 2, or 3.