diethyl 2-acetyl-2-methyloctanedioate | 407627-95-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: diethyl 2-acetyl-2-methyloctanedioate
• 英文别名: ethyl 2-(5-ethoxycarbonyl)pentyl-2-methylacetoacetate
• CAS: 407627-95-6
• 化学式: C₁₅H₂₆O₅
• 分子量: 286.368
• InChiKey: QZKYEJSOFDMQEL-UHFFFAOYSA-N

物化性质

• 沸点：
  370.3±27.0 °C(Predicted)
• 密度：
  1.021±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diethyl 2-acetyl-2-methyloctanedioate 在 水 、 溶剂黄146 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 5.0h， 生成 2,3-二甲基-5-磺基-3H-吲哚-3-己酸
  参考文献：
  名称：

  MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES

  摘要：

  化学反应性碳氰染料包含一个在3位被反应性基团或共轭物质取代的吲哚环部分，并描述了它们的用途。通过这个位置的共轭导致光谱特性均优于在不同位置附着的光谱相似染料的共轭物。该发明包括具有一个或多个苯并氮的衍生化合物。

  公开号：

  US20150218380A1
• 作为产物：
  描述：

  6-溴己酸乙酯 在 sodium hydride 作用下， 以 甲苯 、 mineral oil 为溶剂， 反应 14.5h， 以46%的产率得到diethyl 2-acetyl-2-methyloctanedioate
  参考文献：
  名称：

  [EN] CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS
  [FR] INTERMEDIAIRES CHIRAUX D'INDOLE ET LEURS COLORANTS DE CYANINE FLUORESCENTS CONTENANT DES GROUPES FONCTIONNELS

  摘要：

  公开号：

  WO2004039894A3

文献信息

• Dye compounds
  申请人：SFC CO., LTD.

  公开号：US10473666B2

  公开（公告）日：2019-11-12

  The present invention relates to dye compounds represented by Formulae I and II, which are described in the specification. The dye compounds of the present invention have markedly improved quantum yields and emit strong fluorescence compared to existing cyanine dyes. Due to these advantages, the dye compounds of the present invention can find applications in various fields, for example, as probes for various biological systems where optical imaging is required. Particularly, the dye compounds of the present invention can be used as mitotrackers capable of labeling and tracking mitochondria. Therefore, the dye compounds of the present invention can be used to quantitatively image mitochondria in live tissues and cells. Furthermore, the dye compounds of the present invention can be applied as pH probes for measuring the pH of live cells.

  本发明涉及由式I和II表示的染料化合物，这些化合物在说明书中有描述。与现有的青菁染料相比，本发明的染料化合物具有明显改善的量子产率，并且发射强烈的荧光。由于这些优点，本发明的染料化合物可以在各个领域找到应用，例如，作为各种生物系统的探针，其中需要光学成像。特别地，本发明的染料化合物可以用作能够标记和追踪线粒体的有丝分裂追踪剂。因此，本发明的染料化合物可以用于定量成像活体组织和细胞中的线粒体。此外，本发明的染料化合物可以作为用于测量活细胞pH值的pH探针。
• LUMINESCENT COMPOUNDS
  申请人：Terpetschnig Ewald A.

  公开号：US20120035346A1

  公开（公告）日：2012-02-09

  Dyes and photoluminescent compounds based on polymethine dyes that contain at least one alkyl-phosphonate or substituted alkyl-phosphonate group, including the synthetic precursors, methods of synthesis, and applications thereof. Certain embodiments include heterocyclic ring systems and polymethine linkage are selected such that the resulting polymethine dye is a cyanine dye, a merocyanine dye, or a styryl dye.

  基于聚甲烯染料的染料和光致发光化合物，其中至少含有一个烷基膦酸酯或取代烷基膦酸酯基团，包括合成前体、合成方法及其应用。某些实施例包括选择杂环环系统和聚甲烯链结构，以使得所得的聚甲烯染料为青菁染料、美洛青菁染料或偶氮染料。
• MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES
  申请人：LIFE TECHNOLOGIES CORPORATION

  公开号：US20150218380A1

  公开（公告）日：2015-08-06

  Chemically reactive carbocyanine dyes incorporating an indolium ring moiety that is substituted at the 3-position by a reactive group or by a conjugated substance, and their uses, are described. Conjugation through this position results in spectral properties that are uniformly superior to those of conjugates of spectrally similar dyes wherein attachment is at a different position. The invention includes derivative compounds having one or more benzo nitrogens.

  化学反应性碳氰染料包含一个在3位被反应性基团或共轭物质取代的吲哚环部分，并描述了它们的用途。通过这个位置的共轭导致光谱特性均优于在不同位置附着的光谱相似染料的共轭物。该发明包括具有一个或多个苯并氮的衍生化合物。
• HALOGENATED COMPOUNDS FOR PHOTODYNAMIC THERAPY
  申请人：Jones Gary W.

  公开号：US20130231604A1

  公开（公告）日：2013-09-05

  Halo-organic heterocyclic compounds are described, in which at least two halogen atoms are bound to a nitrogen-containing heterocyclic terminal moiety of the compound, with at least one of such halogen atoms being iodine or bromine. Also described are polymethine dyes based on these heterocyclic compounds, and dendrimeric compounds and conjugates of such polymethine dyes. The polymethine dyes are characterized by enhanced properties, e.g., brightness, photostability, sensitivity and/or selective affinity that make them useful to target cancer cells, pathogenic microorganisms, and/or other biological materials, in applications such as photodynamic therapy, photodynamic antimicrobial chemotherapy (PACT), cancer treatment, selective removal or attachment of biological materials, antimicrobial coating materials, and other diagnostic, theranostic, spectrum shifting, deposition/growth, and analytic applications.

  描述了卤素有机杂环化合物，其中至少有两个卤素原子与化合物的含氮杂环末端基团结合，其中至少一个卤素原子为碘或溴。还描述了基于这些杂环化合物的聚甲烯染料，以及这些聚甲烯染料的树枝状化合物和共轭物。这些聚甲烯染料具有增强的性能，例如亮度、光稳定性、灵敏度和/或选择性亲和力，使它们在靶向癌细胞、病原微生物和/或其他生物材料的应用中具有用途，例如光动力疗法、光动力抗微生物化疗（PACT）、癌症治疗、选择性去除或附着生物材料、抗微生物涂层材料以及其他诊断、治疗学、光谱转移、沉积/生长和分析应用。
• Halogenated compounds for photodynamic therapy
  申请人：Jones Gary W.

  公开号：US08748446B2

  公开（公告）日：2014-06-10

  Halo-organic heterocyclic compounds are described, which have the formulas Ring A is an aromatic ring bound to at least two halogen atoms, at least one of which is iodine or bromine. Also described are polymethine dyes based on these heterocyclic compounds, and dendrimeric compounds and conjugates of such polymethine dyes. The polymethine dyes are characterized by enhanced properties, e.g., brightness, photostability, sensitivity and/or selective affinity that make them useful to target cancer cells, pathogenic microorganisms, and/or other biological materials, in applications such as photodynamic therapy, photodynamic antimicrobial chemotherapy (PACT), cancer treatment, selective removal or attachment of biological materials, antimicrobial coating materials, and other diagnostic, theranostic, spectrum shifting, deposition/growth, and analytic applications.

  描述了一种有机卤代杂环化合物，其化学式为环A是芳香环，与至少两个卤原子结合，其中至少一个是碘或溴。还描述了基于这些杂环化合物的聚甲烯染料，以及这些聚甲烯染料的树枝状化合物和共轭物。这些聚甲烯染料具有增强的性能，例如亮度、光稳定性、灵敏度和/或选择性亲和力，使它们在靶向癌细胞、病原微生物和/或其他生物材料方面具有用途，应用包括光动力疗法、光动力抗微生物化疗（PACT）、癌症治疗、选择性去除或附着生物材料、抗微生物涂层材料以及其他诊断、治疗学、光谱转移、沉积/生长和分析应用。