butane | 56479-11-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: butane
• 英文别名: 2-Methyl-indolyl-magnesiumbromid；Magnesium bromide 2-methylindol-1-ide (1/1/1)；magnesium;2-methylindol-1-ide;bromide
• CAS: 56479-11-9
• 化学式: Br*C₉H₈N*Mg
• 分子量: 234.378
• InChiKey: SZCRPUIDMVEWBB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.27
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  butane 在 air 、 乙醚 作用下， 生成 (2,2'-dimethyl-1H,1'H-[3,3']biindolyl)
  参考文献：
  名称：

  Toffoli, Rendiconti - Istituto superiore di sanita, 1939, vol. 2, p. 565,567

  摘要：

  DOI：

文献信息

• A Bisindolylmaleimide–Naphthalimide Building Block for the Construction of the Energy Transfer Cassette
  作者：Xiaochuan Li、Ruijuan Shi、Yingchun Jin、Yan Lou、Qingshan Ge、Mengmeng Li、Hyungjoo Kim、Young-A Son

  DOI：10.1166/jnn.2014.9397

  日期：2014.10.1

  Double build-in chromophores with naphthalimide and bisindolylmaleimide incorporating to one molecule were synthesized efficiently and characterized fully. Its spectral properties were investigated. Effective intramolecular energy transfer together with the strong emission in solution and solid state were discussed in terms of its electronic structures. Optimized structure and frontier molecular orbital were calculated based on D 3 mol platform. Obviously electron delocalization before and after excitation was observed according to the molecular orbital calculation, which corresponds to the mechanism of excitation energy transfer through space occurred in the donor–linker–acceptor molecular system. The opto-physical properties of the dye indicated potential application of electro-optical materials.

  高效合成了萘二甲酰亚胺和双吲哚马来酰亚胺双嵌发色团，并对其进行了全面表征。对其光谱特性进行了研究。从其电子结构的角度讨论了有效的分子内能量转移以及在溶液和固态中的强烈发射。基于 D 3 mol 平台计算了优化结构和前沿分子轨道。根据分子轨道计算结果，在激发前后观察到了明显的电子外迁现象，这与供体-连接体-受体分子体系中发生的激发能量空间转移机制相吻合。该染料的光物理性质表明其具有应用于电光材料的潜力。
• 나프탈이미드-비스인돌말레이미드 염료 화합물 및 이를 포함하는 염료 조성물
  申请人：The Industry & Academic Cooperation in Chungnam National University (IAC) 충남대학교산학협력단(220040084104) BRN ▼314-82-09264

  公开号：KR20160011409A

  公开（公告）日：2016-02-01

  본 발명은 형광 특성이 우수한 화합물 및 이를 포함하는 염료 조성물에 관한 것이다.

  本发明涉及具有优异荧光特性的化合物以及包含该化合物的染料组合物。
• A General Approach to the Synthesis of Bisindolylmaleimides: Synthesis of Staurosporine Aglycone
  作者：Margaret M. Faul、Kevin A. Sullivan、Leonard L. Winneroski

  DOI：10.1055/s-1995-4146

  日期：1995.12

  Bisindolylmaleimides are prepared in 65-95% yield by reaction of an indole Grignard with either 2,3-dichloro-N-methylmaleimide or 2,3-dichloromaleimide. A one-step synthesis of arcyriarubin A in 72% yield affords ready access to the staurosporine aglycone.

  双吲哚马来酰亚胺是通过吲哚格氏化合物与 2,3-二氯-N-甲基马来酰亚胺或 2,3-二氯马来酰亚胺反应制备的，收率为 65-95%。一步法合成 arcyriarubin A 的收率为 72%，可直接获得石杉碱苷苷元。
• Indolyl compounds and a process of preparing them
  申请人：HOECHST AG

  公开号：US02752358A1

  公开（公告）日：1956-06-26

  The invention comprises beta-phenyl-beta-indolyl - (3) - ethyl - 2 - imidazolines, in which the phenyl group may be substituted by a methoxy group and the indolyl group by methyl and/or chlorine, and their hydrochlorides. The products are obtained by reaction between a -cyanocinnamic esters in which the phenyl group may be methoxy-substituted, with the appropriate indolyl magnesium halide, followed by hydrolysis, decarboxylation, reaction of the product with hydrochloric acid and an alcohol to give an imino-ether, and reaction with ethylene diamine to give the above final products. In examples the indolyl-phenyl-ethyl imidazoline hydrochloride is obtained by the above series of reactions from any of several alkyl esters of a -cyano-cinnamic acid; 2-methylindolyl products, m-methoxyphenyl products, and chloroindolyl products are obtained by the same series of reactions from the necessary starting materials. Intermediate products isolated, include a - cyano - b - indolyl - b - phenyl propionic acid methyl ester and its 2-methyl-and m-methoxy-derivatives, b -indolyl-b -phenyl-propionitrile and its methyl, chloro and methoxy derivatives. Specification 608,295 is referred to.

  该发明包括β-苯基-β-吲哚基-(3)-乙基-2-咪唑啉，其中苯基可以被甲氧基取代，吲哚基可以被甲基和/或氯取代，以及它们的盐酸盐。该产品是通过将苯基可以被甲氧基取代的α-氰基肉桂酸酯与适当的吲哚基镁卤化物反应，随后水解、脱羧、将产物与盐酸和醇反应以得到亚胺醚，再与乙二胺反应得到上述最终产物。在实例中，可以通过上述一系列反应从多种α-氰基肉桂酸的烷基酯中得到吲哚基-苯乙基咪唑啉盐酸盐；通过从必要的起始材料开始进行相同的一系列反应，可以得到2-甲基吲哚基产物、m-甲氧基苯基产物和氯代吲哚基产物。中间产物包括α-氰基-b-吲哚基-b-苯丙酸甲酯及其2-甲基和m-甲氧基衍生物、b-吲哚基-b-苯丙腈及其甲基、氯代和甲氧基衍生物。参考专利号为608,295。
• Ac<SUB>2</SUB>O/HCl Modulated Fluorescence On–Off Model Based on Arylmaleimide
  作者：Xiaochuan Li、Junna Zhang、Young-A Son

  DOI：10.1166/jnn.2015.10419

  日期：2015.7.1

  A dye incorporated naphthalene and bisindolylmaleimide was synthesized. The hydroxyl attached to naphthalene lead to fluorescence quench of binindolylmaleimide. The fluorescence was recovered upon acetic anhydride addition. However, HCl addition quenched the fluorescence emission again. Therefore, a switchable emission “off–on” model can be established. Frontier molecular orbital analysis uncovered the underlying signal mechanism.

  合成了一种含有萘和双吲哚马来酰亚胺的染料。萘上附着的羟基导致双吲哚马来酰亚胺的荧光淬灭。加入醋酸酐后，荧光恢复。然而，加入盐酸后，荧光发射再次被淬灭。因此，可以建立一个可切换的发射 "关闭-开启 "模型。前沿分子轨道分析揭示了潜在的信号机制。