4-diallylamino-benzaldehyde | 75176-71-5

• 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: 4-diallylamino-benzaldehyde
• 英文别名: 4-(N,N-diallylamino)benzaldehyde；4-Diallylaminobenzaldehyde；4-[bis(prop-2-enyl)amino]benzaldehyde
• CAS: 75176-71-5
• 化学式: C₁₃H₁₅NO
• 分子量: 201.268
• InChiKey: VRZCQDSGBXMFIL-UHFFFAOYSA-N

物化性质

• 沸点：
  328.5±42.0 °C(Predicted)
• 密度：
  1.030±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-diallylamino-benzaldehyde 在 sodium tetrahydroborate 、 三氟化硼乙醚 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 26.0h， 生成 4-[[4-[bis(prop-2-enyl)amino]phenyl]methyl]-3-bromo-N,N-bis(prop-2-enyl)aniline
  参考文献：
  名称：

  基于量子化学计算的活细胞超分辨率成像自发闪烁荧光团的设计

  摘要：

  自发闪烁的荧光团是在生理条件下进行活细胞超分辨率成像的强大工具。在这里，我们证明了量子化学计算可以预测荧光团设计的关键参数。我们应用此方法开发了具有黄色荧光的自发闪烁荧光团，用于活细胞中微管的超分辨率成像。

  DOI：

  10.1039/d0cc05126h
• 作为产物：
  描述：

  苯胺 在 potassium hydroxide 、 三氯氧磷 作用下， 以 丙酮 为溶剂， 反应 36.0h， 生成 4-diallylamino-benzaldehyde
  参考文献：
  名称：

  一种双功能可聚合低迁移的光引发剂及其制备方法与应用

  摘要：

  本发明公开了一种双功能可聚合低迁移的光引发剂及其制备方法与应用；属于光固化技术领域；本发明通过修饰分子结构引入C＝C，引发剂本身含有C＝C，属于在UV‑LED领域应用的可聚合型酰基膦氧光引发剂，C＝C可参与光固化聚合反应，将引发剂固定在聚合物中，减少引发剂对外迁移。本发明的光引发剂适应于波段350nm‑470nm，是一种低迁移、高引发效率、高溶解性、可聚合的紫外光引发剂，同时又是一种II型光引发体系氢供体；作为光引发剂用于光固化涂料、油墨、胶黏剂及3D打印，可实现深层固化，具有广泛的应用前景。

  公开号：

  CN114507255B

文献信息

• New sulfonyl-containing materials for nonlinear optics: semiempirical calculations, synthesis, and properties
  作者：Abraham Ulman、Craig S. Willand、Werner Kohler、Douglas R. Robello、David J. Williams、Laura Handley

  DOI：10.1021/ja00176a001

  日期：1990.9

  In this study the authors describe semiempirical calculations, synthesis, ground-state dipole moment measurements, and measurements of molecular second-order hyperpolarizability coefficients (beta}) for new stilbene and azobenzene derivatives containing a methylsulfonyl group as the electron acceptor. They show that theoretical calculations can be used to predict the trends for molecular hyperpolarizabilities

  在这项研究中，作者描述了含有甲基磺酰基作为电子受体的新二苯乙烯和偶氮苯衍生物的半经验计算、合成、基态偶极矩测量和分子二阶超极化系数 (β}) 的测量。他们表明，理论计算可用于预测相似化合物之间分子超极化的趋势，并且这些气相计算低估了 β} 值，这可能是计算中使用的价基集的结果。尽管已证明砜基团提供的分子超极化率略低于类似硝基化合物的超极化率，但随着共轭度的增加，差异变得更小。
• RED FLUORESCENT PROBE FOR USE IN DETECTION OF PEPTIDASE ACTIVITY
  申请人：The University of Tokyo

  公开号：US20200087516A1

  公开（公告）日：2020-03-19

  [Problem] A problem addressed by the present invention is to provide a novel fluorescent probe having excellent tissue permeability that is capable of detecting the peptidase activity expressed at a high level in cancer cells and the like as a response of long-wavelength red fluorescence. [Solution] A compound represented by formula (I) or a salt thereof: [In the formula, A represents a ring structure selected from the group consisting of a thiophene ring, a cyclopentene ring, a cyclopentadiene ring, and a furan ring; X represents a C 0 -C 3 alkylene group; Y represents O, S, C(═O)O, or NH, Z represents O, C(R a ) (R b ), Si(R a ) (R b ), Ge(R a ) (R b ), Sn(R a ) (R b ), Se, P(R c ), or P(R c ) (═O) (where R a and R b each independently represent a hydrogen atom or an alkyl group, and R c represents a hydrogen atom, an alkyl group, or an aryl group); R 1 and R 2 each independently represent from one to three of the same or different substituents selected from the group consisting of a hydrogen atom, a hydroxyl group, a halogen atom, and an alkyl group, a sulfo group, a carboxyl group, an ester group, an amide group, and an azide group each of which may be substituted; R 3 represents an acyl residue derived from an amino acid (where the acyl residue is a residue obtained by removing an OH group from a carboxyl group of the amino acid); R 4 and R 5 each independently represent a hydrogen atom or an alkyl group (where when R 4 or R 5 is an alkyl group, the R 4 or R 5 , together with R 2 , may form a ring structure comprising a nitrogen atom to which R 4 and R 5 are bonded).]

  本发明解决的问题是提供一种具有出色的组织渗透性的新型荧光探针，能够检测在癌细胞等高水平表达的肽酶活性，并以长波长红色荧光作为响应。该解决方案是由下式或其盐所表示的化合物: [在该式中，A代表从噻吩环、环戊烯环、环戊二烯环和呋喃环等组成的环结构；X代表C0-C3烷基基团；Y代表O、S、C(═O)O或NH；Z代表O、C(Ra)(Rb)、Si(Ra)(Rb)、Ge(Ra)(Rb)、Sn(Ra)(Rb)、Se、P(Rc)或P(Rc)(═O)（其中Ra和Rb各自独立地代表氢原子或烷基基团，Rc代表氢原子、烷基基团或芳基）；R1和R2各自独立地代表从同一种或不同的取代基组成的羟基、卤原子、烷基基团、磺基、羧基、酯基、酰胺基和叠氮基中的一种至三种取代基（每种取代基可以被取代）；R3代表由氨基酸衍生的酰基残基（其中酰基残基是通过从氨基酸的羧基中去除一个OH基团而得到的残基）；R4和R5各自独立地代表氢原子或烷基基团（当R4或R5为烷基基团时，R4或R5与R2一起可以形成一个含有氮原子的环结构，其中R4和R5与R2相结合）。]
• Pyran derivative, method for manufacturing the same, and light-emitting element containing the pyran derivative
  申请人：Yamagata Sachiko

  公开号：US20050048315A1

  公开（公告）日：2005-03-03

  A light-emitting compound that has excellent carrier transportation properties and that can exhibit long wavelength light is disclosed. Further, a method for manufacturing the light-emitting compound in a high yield is disclosed. The disclosed light-emitting compound is a pyran derivative as represented by general formula 1: wherein A 1 and A 2 are individually a π-conjugated system group having 6 to 16 conjugating carbon atoms; X 1 is a dialkylamino group; and Y 1 is a diarylamino group or an alkylarylamino group.

  揭示了一种具有优异载流子传输性能并能发射长波长光的发光化合物。此外，还揭示了一种高产率制备该发光化合物的方法。所揭示的发光化合物是一种吡喃衍生物，表示为通用式1：其中A1和A2分别是具有6到16个共轭碳原子的π共轭系统基团；X1是二烷基胺基团；Y1是二芳胺基团或烷基芳胺基团。
• Dental Restorative Materials Based on Polymerizable Azides and Alkynes
  申请人：Ivoclar Vivadent AG

  公开号：US20140171536A1

  公开（公告）日：2014-06-19

  The invention relates to a dental restorative material on the basis of at least one compound of Formula I A-[X-Q-(Y-CG) n ] m Formula I, wherein CG represents in each case independently an azide group N 3 or an alkyne group selected from the group consisting of —CR 1 R 2 —C≡CH, with the proviso that the dental restorative material comprises at least one compound of Formula I comprising an azide group and at least one compound of Formula I comprising an alkyne group. The invention also relates to the use of the dental restorative materials according to the invention for preparing dental composites, preferably composite blanks, which are suitable in particular for mechanical processing by means of computer-aided processing techniques such as milling and grinding processes, and which are suitable above all for preparing dental restoration materials such as inlays, onlays, crowns, bridges or veneering materials.

  该发明涉及一种牙科修复材料，其基础是至少一种化合物Formula IA-[X-Q-(Y-CG)n]mFormula I，其中CG在每种情况下独立地表示一个偶氮基团N3或从一组中选择的炔基团，该组由—CR1R2—C≡CH组成，但是牙科修复材料至少包括一种包含偶氮基团的Formula I化合物和一种包含炔基团的Formula I化合物。该发明还涉及根据该发明的牙科修复材料用于制备牙科复合材料，优选为复合坯料，特别适用于通过计算机辅助加工技术（如铣削和磨削工艺）进行机械加工，并且特别适用于制备牙科修复材料，如嵌体、套环、冠、桥梁或贴面材料。
• Self-assembled super lattices
  申请人：Northwestern University

  公开号：US05156918A1

  公开（公告）日：1992-10-20

  Polymer-based second harmonic generation materials are disclosed, including electric field poled, chromophore-functionalized polyphenylene ethers with second harmonic coefficients (d.sub.33) as high as 65.times.10.sup.-9 esu, Tg.apprxeq.173.degree. C., and with superior temporal stability of the poling-induced chromophore orientation. Procedures for simultaneously poling and diepoxide cross-linking chromophore-functionalized poly(.rho.-hydroxystyrene) are set forth, resulting in a significant improvement in the temporal stability of chromophore orientation. Chromophore immobilization is disclosed involving highly cross-linkable epoxy matrices. In a first procedure chromophore molecules are embedded in a matrix which can be simultaneously poled and thermally cured. In a second procedure, a functionalized high-.beta. chromophore is synthesized for use as an epoxy matrix component.

  本文介绍了基于聚合物的二次谐波发生材料，包括具有高达65×10^-9 esu的二次谐波系数（d.sub.33）和Tg约为173°C的电场极化的、色团功能化的聚苯乙烯醚，并具有极好的极化诱导色团方向的时间稳定性。本文提出了同时进行极化和双环氧交联色团功能化聚（ρ-羟基苯乙烯）的方法，从而显著提高了色团方向的时间稳定性。本文还介绍了色团固定化，其中包括高度交联的环氧基基质。在第一种方法中，色团分子被嵌入可以同时极化和热固化的基质中。在第二种方法中，合成了功能化的高-β色团用作环氧基基质组分。