1,4-di(6-bromo-2-pyridyl)butan-1,4-dione | 37709-52-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,4-di(6-bromo-2-pyridyl)butan-1,4-dione
• 英文别名: 1,4-bis-(6-bromo-pyridin-2-yl)-butane-1,4-dione；1,4-Bis(6-bromopyridin-2-yl)butane-1,4-dione；1,4-bis(6-bromopyridin-2-yl)butane-1,4-dione
• CAS: 37709-52-7
• 化学式: C₁₄H₁₀Br₂N₂O₂
• 分子量: 398.054
• InChiKey: IDSMIELCFDOMBN-UHFFFAOYSA-N

物化性质

• 沸点：
  540.8±50.0 °C(Predicted)
• 密度：
  1.714±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  59.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,4-di(6-bromo-2-pyridyl)butan-1,4-dione 在 ammonium hydroxide 、 碳酸氢铵 作用下， 以 乙醇 为溶剂， 以89%的产率得到2,5-bis(6'-bromo-2'-pyridyl)pyrrole
  参考文献：
  名称：

  Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation

  摘要：

  Novel hybrid cyclo[m]pyridine[n]pyrroles have been synthesized using Suzuki coupling. Their NMR and optical spectroscopic features and solid state structural parameters provide support for the proposal that these species are best described as locally aromatic compounds devoid of long-range intersubunit conjugation. However, an extension of the pi-conjugation in the macrocycles can be realized through protonation, as inferred from optical spectroscopic and X-ray diffraction-based structural studies.

  DOI：

  10.1021/ja211985k
• 作为产物：
  描述：

  吡啶-2-甲醛 、 二乙烯基砜 、 6-溴吡啶-2-甲醛 在 sodium acetate 、 3-苄基羟乙基甲基噻唑氯化锂 作用下， 以 乙醇 为溶剂， 生成 1-(2-pyridyl)-4-(6-bromo-2-pyridyl)butan-1,4-dione 、 1,4-di(2-pyridyl)butan-1,4-dione 、 1,4-di(6-bromo-2-pyridyl)butan-1,4-dione
  参考文献：
  名称：

  三齿吡啶基吡咯配体的锌配合物及其在二氧化碳固定成环状碳酸酯中的催化剂的用途

  摘要：

  吡啶基吡咯配体通常模仿聚吡啶配体，它们的金属配合物非常有趣，这是因为它们具有丰富的配位化学以及在分子装置，生物治疗和催化转化中的用途。Ç小号-对称ħ大号3配体的吡啶基环中的一个溴取代的设计并通过帕尔-克诺尔吡咯缩合合成。配体H L 4是在脱气的THF / H 2 O溶液中，在K 2 CO 3和Pd（PPh 3）4存在下，通过H L 3和2-噻吩硼酸之间的Suzuki偶联反应合成的。锌络合物1 - 5用H大号1至H大号5是通过用在二乙基锌的甲苯相应的吡啶基吡咯配体的在0℃下以高产率制备。X射线衍射分析表征了配体H L 3和所有锌配合物。游离HL 3的结构是平面的。在Zn的几何形状1，2，和5被压缩八面体，而在3和4，他们也许最好地描述为之间是顺-divacant八面体和扭曲的四面体。在这些锌络合物中，较短的Zn–N吡咯[1.878（5）-1.950（4）Å]和更长的Zn-N吡啶[2.108（5）-2

  DOI：

  10.1002/ejic.201801246

文献信息

• Gamma-diketones for treatment and prevention of aging skin and wrinkles
  申请人：Samumed, LLC

  公开号：US10434052B2

  公开（公告）日：2019-10-08

  The present disclosure relates to compounds having the following structure: or a dermatologically acceptable salt thereof, and cosmetic or dermopharmaceutical compositions comprising the same, and methods for using the compounds or compositions for treating, protecting, and/or improving the condition and/or aesthetic appearance of skin, for example, treating, preventing, ameliorating, reducing and/or eliminating fine lines and/or wrinkles of skin, or improving the appearance of fine lines and/or or wrinkles of skin comprising application of the compounds or compositions disclosed.

  本公开涉及具有以下结构的化合物： 或其皮肤学上可接受的盐，以及包含这些化合物的化妆品或皮肤药物组合物，以及使用这些化合物或组合物治疗、保护和/或改善皮肤状况和/或美学外观的方法，例如，治疗、预防、改善、减少和/或消除皮肤细纹和/或皱纹，或改善皮肤细纹和/或或皱纹的外观，包括应用所公开的化合物或组合物。
• GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES
  申请人：Samumed, LLC

  公开号：US20160206540A1

  公开（公告）日：2016-07-21

  The present disclosure relates to compounds, cosmetic or dermopharmaceutical compositions comprising the same, and methods for using the compounds or compositions for treating, protecting, and/or improving the condition and/or aesthetic appearance of skin, for example, treating, preventing, ameliorating, reducing and/or eliminating fine lines and/or wrinkles of skin, or improving the appearance of fine lines and/or or wrinkles of skin comprising application of the compounds or compositions disclosed.
• GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS
  申请人：Samumed, LLC

  公开号：US20170260176A1

  公开（公告）日：2017-09-14

  The present disclosure provides γ-diketones or analogs thereof, that activate Wnt/β-catenin signaling and thus treat or prevent diseases related to signal transduction, such as osteoporosis and osteoarthropathy; osteogenesis imperfecta, bone defects, bone fractures, periodontal disease, otosclerosis, wound healing, craniofacial defects, oncolytic bone disease, traumatic brain injuries or spine injuries, brain atrophy/neurological disorders related to the differentiation and development of the central nervous system, including Parkinson's disease, strokes, ischemic cerebral disease, epilepsy, Alzheimer's disease, depression, bipolar disorder, schizophrenia; otic disorders like cochlear hair cell loss; eye diseases such as age related macular degeneration, diabetic macular edema or retinitis pigmentosa and diseases related to differentiation and growth of stem cell, such as hair loss, hematopoiesis related diseases and tissue regeneration related diseases.
• US9795550B2
  申请人：——

  公开号：US9795550B2

  公开（公告）日：2017-10-24
• [EN] GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS<br/>[FR] GAMMA-DICÉTONES EN TANT QU'ACTIVATEURS DE LA VOIE DE SIGNALISATION WNT/&Bgr;-CATÉNINE
  申请人：SAMUMED LLC

  公开号：WO2014130869A1

  公开（公告）日：2014-08-28

  The present disclosure provides ƴ-diketones or analogs thereof, that activate Wnt/β-catenin signaling and thus treat or prevent diseases related to signal transduction, such as osteoporosis and osteoarthropathy; osteogenesis imperfecta, bone defects, bone fractures, periodontal disease, otosclerosis, wound healing, craniofacial defects, oncolytic bone disease, traumatic brain injuries or spine injuries, brain atrophy/neurological disorders related to the differentiation and development of the central nervous system, including Parkinson's disease, strokes, ischemic cerebral disease, epilepsy, Alzheimer's disease, depression, bipolar disorder, schizophrenia; otic disorders like cochlear hair cell loss; eye diseases such as age related macular degeneration, diabetic macular edema or retinitis pigmentosa and diseases related to differentiation and growth of stem cell, such as hair loss, hematopoiesis related diseases and tissue regeneration related diseases.