β-(dimethylamino)acrolein aminal | 5043-87-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: β-(dimethylamino)acrolein aminal
• 英文别名: (E)-1-N,1-N,1-N',1-N',3-N,3-N-hexamethylprop-2-ene-1,1,3-triamine
• CAS: 5043-87-8
• 化学式: C₉H₂₁N₃
• 分子量: 171.286
• InChiKey: XYLLGUASQGAIRA-BQYQJAHWSA-N

物化性质

• 沸点：
  221.8±40.0 °C(Predicted)
• 密度：
  0.888±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  β-(dimethylamino)acrolein aminal 生成 二甲胺
  参考文献：
  名称：

  KRASNAYA ZH. A.; STYTSENKO T. S., IZV. AN CCCP. CEP. XIM., 1981, HO 5, 1060-1064

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-bis-dimethylaminotrimethinium perchlorate 、 potassium methanolate 生成 β-(dimethylamino)acrolein aminal
  参考文献：
  名称：

  KRASNAYA, ZH. A.;STYTSENKO, T. S., IZV. AN CCCP. CEP. XIM., 1983, N 4, 850-855

  摘要：

  DOI：

文献信息

• Reactions of 2,2-disubstituted 1,1-dicyanoethenes with β-dimethylaminoacrolein aminal and 3-dimethylamino-1,1,3-trimethoxypropane
  作者：Zh. A. Krasnaya、E. O. Tret’yakova、V. V. Kachala、S. G. Zlotin

  DOI：10.1007/s11172-008-0219-0

  日期：2008.8

  A reaction of 2,2-disubstituted 1,1-dicyanoethenes with β-dimethylaminoacrolein aminal and 3-dimethylamino-1,1,3-trimethoxypropane leads to substituted 6,6-dicyano-1-dimethyl-aminohexatrienes and an organic salt containing 1,1,9,9-tetracyano-2,8-diphenylnona-2,4,6,8-tetraenide as the anion and (dimethylaminopropenylidene)dimethylammonium as the cation, on the basis of which new cation-anionic polymethine dyes were obtained.

  2,2-二取代的 1,1-二氰基乙烯与 β-二甲基氨基丙烯醛氨基和 3-二甲基氨基-1,1,3-三甲氧基丙烷反应，生成取代的 6,6-二氰基-1-二甲基氨基己三烯和含有 1、1,9,9-tetracyano-2,8-diphenylnona-2,4,6,8-tetraenide 作为阴离子，(dimethylaminopropenylidene)dimethylammonium 作为阳离子的有机盐。
• Cross-conjugated ω,ω′-bis(dimethylamino) ketones and dinitriles containing a cycloalkane or piperidine fragment: synthesis and study of spectroscopic properties
  作者：Zh. A. Krasnaya、L. A. Shvedova、A. S. Tatikolov、E. O. Tret’yakova、V. V. Kachala、S. G. Zlotin

  DOI：10.1007/s11172-010-0009-3

  日期：2009.2

  β-dimethylaminoacrolein aminals to give keto-cyanines containing a piperidine ring. A reaction of 3-dimethylamino-1, 1,3-trimethoxypropane with 1-ethoxycarbonylpiperidin-4-ylidenemalononitrile produces a cross-conjugated ω,ω′-bis-(dimethylamino) dinitrile. Its yield is doubled when ionic liquids are used. The spectroscopic properties of the compounds obtained are highly sensitive to the structure: replacement of the

  N-取代的 4-哌啶酮与 β-二甲氨基丙烯醛缩醛胺反应生成含有哌啶环的酮花青。3-二甲氨基-1, 1,3-三甲氧基丙烷与 1-乙氧基羰基哌啶-4-亚基丙二腈反应生成交叉共轭的 ω,ω'-双-（二甲氨基）二腈。当使用离子液体时，其产率加倍。所得化合物的光谱性质对结构高度敏感：酮花青中的 C=O 基团被 C=C(CN)2 基团取代导致吸收光谱发生相当大的红移，同时取代了中心桥(CH2)3 片段由 (CH2)4 导致低色移。所有获得的化合物都表现出正溶剂化显色。
• Synthesis, spectral properties, and conformations of nonlinear cross-conjugated polyenes containing pyrane or dihydropyridine fragment
  作者：Zh. A. Krasnaya、E. O. Dorofeeva、V. V. Kachala、A. S. Tatikolov、S. G. Zlotin

  DOI：10.1007/s11172-013-0292-x

  日期：2013.9

  spectroscopy (NOESY and ROESY): the chromophores are arranged at an acute or obtuse angle in the structures with the pyrane or dihydropyridine fragment, respectively. The conformational differences in polyenes result in a drastic change in their spectral properties: for the dyes with an acute angles between the chromophores, the long-wavelength absorption band is less intense, as a rule, than the shorter-wavelength

  合成了含有中心吡喃或 N-甲基二氢吡啶片段的新型交叉共轭 ω,ω'-二甲基氨基多烯。在新化合物中，氨基多烯发色团的相互作用是通过杂环 4 位的二氰基亚甲基、1-氰基-1-(4-硝基苯基)亚甲基或 1,3-二氧茚满-2-亚基发生的。合成化合物的构象通过 2D 1H NMR 光谱（NOESY 和 ROESY）确定：发色团在结构中分别以锐角或钝角排列，分别带有吡喃或二氢吡啶片段。多烯的构象差异导致其光谱性质发生剧烈变化：对于发色团之间呈锐角的染料，长波长吸收带通常不如短波长吸收带强，而钝角化合物的情况则相反。合成的具有二腈和其他受体基团的化合物的吸收光谱比相应的具有羰基受体基团的化合物的吸收光谱位于更长的波长区域。中心桥接取代基 NMe 降低了发色团相互作用的能量。
• Synthesis of conjugated ?-dimethylaminocarbonyl compounds containing an azomethine fragment
  作者：Zh. A. Krasnaya、V. S. Bogdanov

  DOI：10.1007/bf00963505

  日期：1991.10

  Methods have been studied for synthesis of conjugated omega-dimethylaminocarbonyl compounds containing an azomethine fragment. The structures were established of all products from reaction of 2-aza-3-dimethylaminoacrolein acetal with CH-acids and of DMF acetal and beta-dimethylaminoacrolein aminal with primary amines. It was shown that in many cases these reactions are accompanied by cleavage of the C=N, C-N and C=C bonds.
• Reaction of aminals of conjugated unsaturated ?-dimethylaminoaldehydes with 1,2-, 1,3-, 1,4-, 1,5-, and 1,6-diketones
  作者：Zh. A. Krasnaya、E. V. Grechkina、V. S. Bogdanov

  DOI：10.1007/bf00702001

  日期：1993.7

  The condensation of aminals of beta-dimethylaminoacrolein and 5-dimethylaminopenta-2,4-dienal with cyclic and acyclic 1,2-, 1,3-, 1,4-, 1,5-, and 1,6-diketones was studied. A series of previously unknown bis(omega,omega'-dimethylaminopolyenyl)diketones was synthesized; their structures were established by means of H-1 and C-13 NMR spectroscopies. The electron absorption spectra were employed to study the mutual influence of omega-aminopolyene chromophores separated by two C=O groups.