1-n-Propyl-2,3,3-trimethylindolinium | 114109-29-4

• 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: 1-n-Propyl-2,3,3-trimethylindolinium
• 英文别名: 2,3,3-trimethyl-1-propyl-3H-indolium；2,3,3-Trimethyl-1-propylindol-1-ium
• CAS: 114109-29-4
• 化学式: C₁₄H₂₀N
• 分子量: 202.319
• InChiKey: SUHRLOMMYZFKSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  3
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-n-Propyl-2,3,3-trimethylindolinium 在 肼 作用下， 以 benzine 、 二氯甲烷 、 二甲基亚砜 、 正丁醇 为溶剂， 反应 9.0h， 生成
  参考文献：
  名称：

  Ratiometric Probe for Rapid Naked Eye Detection of Toxic Hydrazine: Real Time Application in Strip Test, Spray Test and Soil Analysis

  摘要：

  实现了在完全水溶液中突然检测肼的引人注目的比色探针（CynH）。该水溶性探针采用电子 "推拉 "策略设计，由 4- 羟基苯甲醛和 2, 3, 3-三甲基吲哚啉偶联而成。带正电荷的 N-丙基吲哚啉使探针完全溶于水。该探针以极高的灵敏度选择性地检测肼，而不检测其他竞争性分析物。在与肼反应时，可观察到明显的颜色变化，从无色变为明亮的粉红色。它能在 2 min 内与肼快速反应，因此是实际应用的有效候选探针。使用纸带检测肼蒸气的实时应用进行了演示。这种探针优于早期报道的探针，因为它能有效地感应肼，并有多种应用，包括基于纸带的实时感应、喷雾测试和土壤分析。在所有检测中，该探针都能产生明显的反应，肉眼能迅速看到颜色变化，克服了以前报告中的缺点。

  DOI：

  10.1007/s10895-021-02825-x
• 作为产物：
  描述：

  2,3,3-三甲基-3H-吲哚 、 1-碘代丙烷 以 乙腈 为溶剂， 反应 6.0h， 生成 1-n-Propyl-2,3,3-trimethylindolinium
  参考文献：
  名称：

  Ratiometric Probe for Rapid Naked Eye Detection of Toxic Hydrazine: Real Time Application in Strip Test, Spray Test and Soil Analysis

  摘要：

  实现了在完全水溶液中突然检测肼的引人注目的比色探针（CynH）。该水溶性探针采用电子 "推拉 "策略设计，由 4- 羟基苯甲醛和 2, 3, 3-三甲基吲哚啉偶联而成。带正电荷的 N-丙基吲哚啉使探针完全溶于水。该探针以极高的灵敏度选择性地检测肼，而不检测其他竞争性分析物。在与肼反应时，可观察到明显的颜色变化，从无色变为明亮的粉红色。它能在 2 min 内与肼快速反应，因此是实际应用的有效候选探针。使用纸带检测肼蒸气的实时应用进行了演示。这种探针优于早期报道的探针，因为它能有效地感应肼，并有多种应用，包括基于纸带的实时感应、喷雾测试和土壤分析。在所有检测中，该探针都能产生明显的反应，肉眼能迅速看到颜色变化，克服了以前报告中的缺点。

  DOI：

  10.1007/s10895-021-02825-x

文献信息

• [EN] PROCESS FOR DYE PRODUCTION<br/>[FR] PROCÉDÉ POUR LA PRODUCTION DE COLORANT
  申请人：UNIV CENTRAL LANCASHIRE

  公开号：WO2013114115A1

  公开（公告）日：2013-08-08

  The present invention relates to a process for the production of certain compounds, especially dye compounds defined in general by Formula I: The invention provides a one-step method in which a compound of Formula II or a reactive intermediate derived in situ therefrom is reacted in situ with a compound of Formula III (optionally in the presence of a compound of Formula IV) to produce compounds of Formula I in excellent yield, and in a manner which avoids undesirable by- product formation.

  本发明涉及一种用于生产特定化合物的方法，特别是通常由式I定义的染料化合物。该发明提供了一种一步法，其中式II的化合物或在现场生成的反应中间体与式III的化合物（可选地在式IV的化合物存在的情况下）在现场反应，以在优异产率下产生式I的化合物，并且避免了不良副产物的形成。
• [EN] NEAR-INFRARED (NIR) TRICARBOCYANINE N-TRIAZOLE CHROMOPHORES<br/>[FR] CHROMOPHORES TRICARBOCYANINE N-TRIAZOLE PROCHE INFRAROUGE (NIR)
  申请人：UNIV COURT UNIV OF EDINBURGH

  公开号：WO2020020905A1

  公开（公告）日：2020-01-30

  The present invention provides a tricarbocyanine N-triazoles family of bright, photostable and cell- permeable NIR chromophores containing neutral triazole groups. In particular, a compound of formula (I), a derivative or a salt thereof is provided. Formula (I) wherein, R1 is absent or selected from the group consisting C1-C6 alkyl, and C1-C9 alkyl substituted with one or more of the following groups: halogen, hydroxyl, aryl, carboxylic acids; C3-C6 cycloalkyl, aryl groups substituted with one or more of the following groups: alkyl, cycloalkyl, naphthalenyl, phenanthrenyl, amino, aminoalkyl, aminocycloalkyl, formyl, trifluoromethyl, carboxyl, halogen, hydroxyl, hydroxyalkyl, alkyloxy, hydroxyaryl, nitro; thiophenyl, pyridinyl, imidazolyl, acetal, benzyl; R2 and R3 are each independently selected from the group consisting of C1-C6 alkyl, and C1-C6 alkyl substituted with one or more of the following groups: carboxylic acids, substituted amides, sulphonate groups, aryl, succinimidyl esters, maleimides, polyethyleneglycol-based substituents; R4, R5, R8 and R9 are each independently absent, C1-C6 alkyl or H; R6 and R10 are each independently H; R7 and R11 are each independently selected from the group consisting of H, Me and sulphonate; or R6-R7 and/or R10-R11 form an aromatic ring and/or R5-R6 and/or R9-R10 form an aromatic ring; R12 is selected from the group consisting of H, C1-C6 alkyl, and C1-C9 alkyl substituted with one or more of the following groups: hydroxyl, aryl, carboxylic esters, carboxylic acids; amine, aminoalkyl, aminocycloalkyl, aminoaryl, tosyl, hydroxyalkyl, hydroxyaryl, thioalkyl, thioaryl; X and Y are each independently selected from the group consisting of C, S, O and N; and Z is either C or N. The invention further relates to processes for the preparation of the compounds, and uses of the compounds in therapeutic, diagnostic, surgery and analytical applications.

  本发明提供了一种三碳氰染料N-三唑家族，其中包含中性三唑基团的明亮、光稳定和细胞渗透的近红外色素。具体地，提供了一种具有以下结构的化合物（I）、其衍生物或盐。其中，R1为缺席或从以下组中选择：C1-C6烷基，和C1-C9烷基，该烷基被以下一种或多种基团取代：卤素、羟基、芳基、羧酸；C3-C6环烷基，芳基被以下一种或多种基团取代：烷基、环烷基、萘基、菲基、氨基、氨基烷基、氨基环烷基、甲酰基、三氟甲基、羧基、卤素、羟基、羟基烷基、烷氧基、羟基芳基、硝基；噻吩基、吡啶基、咪唑基、缩醛基、苄基；R2和R3各自独立地从以下组中选择：C1-C6烷基，和C1-C6烷基，该烷基被以下一种或多种基团取代：羧酸、取代酰胺、磺酸酯基团、芳基、琥珀酰亚胺酯、马来酰亚胺基、聚乙二醇基取代基；R4、R5、R8和R9各自独立地为缺席、C1-C6烷基或H；R6和R10各自独立地为H；R7和R11各自独立地从以下组中选择：H、Me和磺酸酯；或R6-R7和/或R10-R11形成芳香环和/或R5-R6和/或R9-R10形成芳香环；R12从以下组中选择：H、C1-C6烷基，和C1-C9烷基，该烷基被以下一种或多种基团取代：羟基、芳基、羧酸酯、羧酸；胺、氨基烷基、氨基环烷基、氨基芳基、对甲苯磺酰基、羟基烷基、羟基芳基、硫代烷基、硫代芳基；X和Y各自独立地从以下组中选择：C、S、O和N；Z为C或N。该发明还涉及制备这些化合物的方法，以及这些化合物在治疗、诊断、手术和分析应用中的用途。
• DYE INCLUDING AN ANCHORING GROUP IN ITS MOLECULAR STRUCTURE
  申请人：Fuhrmann Gerda

  公开号：US20100212737A1

  公开（公告）日：2010-08-26

  A dye including an anchoring group in its molecular structure, said anchoring group allowing a covalent coupling of said dye to a surface, for example a surface of a nanoporous semiconductor layer, said anchoring group being represented by formula 1 wherein attachment of said anchoring group within said molecular structure of said dye is at the terminal carbon marked with an asterisk in above formula, wherein G is selected from —COOH, —SO3H, —PO3H2, —BO2H2, —SH, —OH, —NH2, preferably —COOH, wherein A is selected from the group comprising H, —CN, —NO2, —COOR, —COSR, —COR, —CSR, —NCS, —CF3, —CONR2-OCF3, C6H5-mFm, wherein m=1-5, R being H or any straight or branched alkyl chain of general formula —CnH2 n +I, n=O-12, preferably 0-4, or any substituted or non-substituted phenyl or biphenyl.

  一种染料，其分子结构中包括一个锚定基团，该锚定基团允许将该染料共价耦合到表面，例如纳米多孔半导体层的表面。该锚定基团由公式1表示，其中上述公式中带星号的末端碳上的锚定基团连接在该染料的分子结构内。其中G从—COOH，—SO3H，—PO3H2，—BO2H2，—SH，—OH，—NH2中选择，优选为—COOH。其中A从H，—CN，—NO2，—COOR，—COSR，—COR，—CSR，—NCS，—CF3，—CONR2-O ，C6H5-mFm中选择，其中m=1-5，R为H或一般式—CnH2n+I的任何直链或支链烷基链，n=0-12，优选为0-4，或任何取代或未取代的苯基或联苯基。
• CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES
  申请人：IGNATYEV Nikolai (Mykola)

  公开号：US20110190480A1

  公开（公告）日：2011-08-04

  The present invention relates to dyes of the general formula CAT + Y − (I), where Y − is an anion selected from the group of the cyanoborates, fluoroalkylphosphates, fluoroalkylborates or imidates and CAT + is a cation selected from the group of the azine, xanthene, polymethine, styryl, azo, tetrazolium, pyrylium, benzopyrylium, thiopyrylium, benzothiopyrylium, thiazine, oxazine, triarylmethane, diarylmethane, methine, acridine, quinoline, isoquinoline or quaternary azafluorenone dyes, for colouring plastics and plastic fibres, for the preparation of flexographic printing inks, as ball-point pen pastes, as stamp ink, for colouring leather and paper, for use in data acquisition systems, reprography, in ink microfilters, in photogalvanics, laser technology and the photo industry.

  本发明涉及一般式CAT+Y−（I）的染料，其中Y−是从氰硼酸盐、氟烷基磷酸盐、氟烷基硼酸盐或咪唑盐群中选择的阴离子，CAT+是从偶氮、黄色素、聚甲烯、苯乙烯、偶氮、四唑、吡啶、苯并吡喃、硫吡喃、苯并硫吡喃、噻吩、噁唑、三芳基甲烷、二芳基甲烷、甲烷、吖啶、喹啉、异喹啉或季铵氮芴酮染料群中选择的阳离子，用于着色塑料和塑料纤维，制备柔性版印刷油墨，作为圆珠笔膏、邮票墨水，用于着色皮革和纸张，用于数据采集系统，复印术，墨水微滤器，光电镀技术，激光技术和光学工业。
• SQUARYLIUM DYES INCLUDING AN ANCHORING GROUP
  申请人：Fuhrmann Gerda

  公开号：US20100300521A1

  公开（公告）日：2010-12-02

  The present invention relates to squarylium dyes including an anchoring group, to a method of synthesis of such dye, to an electronic device comprising such dye, and to uses of such dye.

  本发明涉及带有锚定基团的方苯基染料，以及这种染料的合成方法，包括这种染料的电子器件和这种染料的用途。