5-acetoxy-1,2,3,4-tetrahydronaphthalene | 91028-13-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 5-acetoxy-1,2,3,4-tetrahydronaphthalene
• 英文别名: 5,6,7,8-tetrahydro-1-naphthyl acetate；5,6,7,8-tetrahydronaphthalen-1-yl acetate；acetic acid-(5,6,7,8-tetrahydro-[1]naphthyl ester)；5-Acetoxy-tetralin；Essigsaeure-(5,6,7,8-tetrahydro-[1]naphthylester)；(5.6.7.8-Tetrahydro-naphthyl-(1))-acetat；5-Acetoxy-1.2.3.4-tetrahydro-naphthalin；1,2,3,4-tetrahydro-5-naphthol acetate；5-Acetoxytetralin
• CAS: 91028-13-6
• 化学式: C₁₂H₁₄O₂
• 分子量: 190.242
• InChiKey: CVCPPNMOBWUVOL-UHFFFAOYSA-N

物化性质

• 熔点：
  129-131 °C
• 沸点：
  119-121 °C(Press: 2.5 Torr)
• 密度：
  1.094±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-acetoxy-1,2,3,4-tetrahydronaphthalene 在 sodium hydroxide 作用下， 生成 四氢萘酚
  参考文献：
  名称：

  Process for manufacturing ar-tetrahydronaphthols and their esters

  摘要：

  公开号：

  US01858627A1
• 作为产物：
  描述：

  乙酸-1-萘酯 在 乙醇 、 镍 作用下， 170.0 ℃ 、5.88 MPa 条件下， 生成 5-acetoxy-1,2,3,4-tetrahydronaphthalene
  参考文献：
  名称：

  Process for manufacturing ar-tetrahydronaphthols and their esters

  摘要：

  公开号：

  US01858627A1

文献信息

• Thienopyridone derivatives useful as activators of AMPK
  申请人：Poxel

  公开号：EP2679591A1

  公开（公告）日：2014-01-01

  The invention relates to compounds that are direct activators of AMPK (AMP-activated protein kinase) and their use in the treatment of disorders regulated by activation of AMPK. For instance, compounds according to the invention are useful for the treatment of diabetes, metabolic syndrome, obesity, liver disease, hepatic steatosis, non alcoholic fatty liver disease (NAFLD), non alcoholic steato-hepatitis (NASH), liver fibrosis, dyslipidemia, hypertriglyceridemia, hypercholesterolemia, inflammation, cancer, cardiovascular diseases, atherosclerosis, high blood pressure, retinopathies or neuropathies.

  该发明涉及直接激活AMPK（AMP-激活蛋白激酶）的化合物及其在治疗受AMPK激活调节的疾病中的应用。例如，根据该发明的化合物对于治疗糖尿病、代谢综合征、肥胖、肝病、肝脂肪变性、非酒精性脂肪肝病（NAFLD）、非酒精性脂肪肝炎（NASH）、肝纤维化、血脂异常、高三酰甘油血症、高胆固醇血症、炎症、癌症、心血管疾病、动脉粥样硬化、高血压、视网膜病变或神经病变方面具有用处。
• MANGANESE (III) CATALYZED C--H AMINATIONS
  申请人：The Board of Trustees of the University of Illinois

  公开号：US20190106448A1

  公开（公告）日：2019-04-11

  Reactions that directly install nitrogen into C—H bonds of complex molecules are significant because of their potential to change the chemical and biological properties of a given compound. Selective intramolecular C—H amination reactions that achieve high levels of reactivity, while maintaining excellent site-selectivity and functional-group tolerance is a challenging problem. Herein is reported a manganese perchlorophthalocyanine catalyst [Mn III (ClPc)] for intermolecular benzylic C—H amination of bioactive molecules and natural products that proceeds with unprecedented levels of reactivity and site-selectivity. In the presence of Brønsted or Lewis acid, the [Mn III (ClPc)]-catalyzed C—H amination demonstrates unique tolerance for tertiary amine, pyridine and benzimidazole functionalities. Mechanistic studies indicate that C—H amination proceeds through an electrophilic metallonitrene intermediate via a stepwise pathway where C—H cleavage is the rate-determining step of the reaction. Collectively these mechanistic features contrast previous base-metal catalyzed C—H aminations.

  直接将氮原子安装到复杂分子中的C-H键的反应具有重要意义，因为它们有可能改变给定化合物的化学和生物性质。实现高反应性，同时保持优秀的位点选择性和官能团耐受性的选择性分子内C-H胺化反应是一个具有挑战性的问题。本文报道了一种锰过氯酞菁催化剂[MnIII(ClPc)]，用于分子间苄基C-H胺化反应，该反应在生物活性分子和天然产物中以前所未有的反应性和位点选择性进行。在Brønsted酸或Lewis酸的存在下，[MnIII(ClPc)]催化的C-H胺化展示了对叔胺、吡啶和苯并咪唑官能团的独特耐受性。机理研究表明，C-H胺化通过亲电金属亚硝烯中间体经过分步途径进行，其中C-H裂解是反应的速率决定步骤。总的来说，这些机理特征与之前基于贱金属催化的C-H胺化反应形成了对比。
• Manganese-catalysed benzylic C(sp3)–H amination for late-stage functionalization
  作者：Joseph R. Clark、Kaibo Feng、Anasheh Sookezian、M. Christina White

  DOI：10.1038/s41557-018-0020-0

  日期：2018.6

  intermolecular benzylic C–H amination of bioactive molecules and natural products that proceeds with unprecedented levels of reactivity and site selectivity. In the presence of a Brønsted or Lewis acid, the [MnIII(ClPc)]-catalysed C–H amination demonstrates unique tolerance for tertiary amine, pyridine and benzimidazole functionalities. Mechanistic studies suggest that C–H amination likely proceeds

  将氮直接安装到复杂分子的C - H键中的反应非常重要，因为它们具有改变给定化合物的化学和生物学特性的潜力。尽管选择性分子内C - H氨基化反应是已知的，但在保持出色的位点选择性和官能团耐受性的同时实现高水平的反应性仍然是分子间C - H氨基化的挑战。在这里，我们报道了一种用于生物活性分子和天然产物的分子间苄基C – H胺化反应的锰全氯酞菁催化剂[MnIII（ClPc）] ，其反应活性和位点选择性达到前所未有的水平。在布朗斯台德酸或路易斯酸的存在下，[MnIII（ClPc）]催化的C–氨基化显示出对叔胺，吡啶和苯并咪唑官能团的独特耐受性。机理研究表明，C - H氨基化反应可能通过逐步的途径通过亲电金属茂中间体进行，其中C - H裂解是反应的速率决定步骤。总的来说，这些机械特性与以前的贱金属催化的C - H胺形成对比，并为可调的选择性提供了新的机会。
• Organic Analysis. VII. New Fluorescence Reaction of Hexose by 5-Hydroxytetralone
  作者：Tsutomu Momose、Yosuke Ohkura

  DOI：10.1248/cpb1953.4.209

  日期：——

  5-Hydroxytetralone-(1) gave a green fluorescence when heated in sulfuric acid with hexoses, oligosaccharides, or polysaccharides which contains hexose units in their molecule. The reaction was sensitive and specific for hexose, and interfered by only a few substances. The limit of the detection of hexoses, oligosaccharides, and polysaccharides was tabulated, and a new syntheses of the reagent was described.

  在硫酸中加热5-羟基四氢萘酮-(1)与含有己糖单位的己糖、低聚糖或多糖时，能够产生绿色荧光。该反应对己糖具有灵敏且特异的检测能力，仅受少数物质干扰。文中列出了己糖、低聚糖和多糖的检测限度，并描述了该试剂的新合成方法。
• [EN] MODULATORS OF STIMULATOR OF INTERFERON GENES (STING)<br/>[FR] MODULATEURS DU STIMULATEUR DES GÈNES DE L'INTERFÉRON (SING)
  申请人：RYVU THERAPEUTICS S A

  公开号：WO2019238786A1

  公开（公告）日：2019-12-19

  The present invention relates to compounds of formula (I) and salts, stereoisomers, tautomers or N-oxides thereof that are useful as modulators of STING (Stimulator of Interferon Genes). The present invention further relates to the compounds of formula (I) for use as a medicament and to a pharmaceutical composition comprising said compounds.

  本发明涉及式(I)化合物及其作为STING（干扰素基因刺激剂）调节剂的盐、立体异构体、互变异构体或N-氧化物。本发明进一步涉及式(I)化合物作为药物的应用以及包含该化合物的药物组合物。