2-trifluoroacetoxynaphthalene | 398-49-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-trifluoroacetoxynaphthalene
• 英文别名: Trifluoroacetic acid, 2-naphthyl ester；naphthalen-2-yl 2,2,2-trifluoroacetate
• CAS: 398-49-2
• 化学式: C₁₂H₇F₃O₂
• 分子量: 240.182
• InChiKey: FBGJNOFLJYQIDX-UHFFFAOYSA-N

物化性质

• 熔点：
  75-76 °C
• 沸点：
  257.9±35.0 °C(Predicted)
• 密度：
  1.352±0.06 g/cm3(Predicted)
• 保留指数：
  1346

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-trifluoroacetoxynaphthalene 在 苯硼酸酐 、 potassium phosphate 、 二氯化双(三环己基膦)镍(II) 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 生成 2-萘酚
  参考文献：
  名称：

  Biaryl Construction via Ni-Catalyzed C−O Activation of Phenolic Carboxylates

  摘要：

  Biaryl scaffolds were constructed via Ni-catalyzed aryl C-O activation by avoiding cleavage of the more reactive acyl C-O bond aryl carboxylates. Now aryl esters, in general, can be successfully employed in cross-coupling reactions for the first time. The substrate scope and synthetic utility of the chemistry were demonstrated by the syntheses of more than 40 biaryls and by constructing complex organic molecules. Water was observed to play an important role in facilitating this transformation.

  DOI：

  10.1021/ja8056503
• 作为产物：
  描述：

  三氟乙酸 、 2-萘酚 反应 24.0h， 以100%的产率得到2-trifluoroacetoxynaphthalene
  参考文献：
  名称：

  Reaction of trifluoroacetic acid with alcohols, phenols, ethers, and their sulfur analogs

  摘要：

  DOI：

  10.1021/jo00346a036

文献信息

• [EN] SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP<br/>[FR] MODULATEURS SELECTIFS DES RECEPTEURS OESTROGENIQUES CONTENANT UN GROUPE PHENYLSULFONYLE
  申请人：LILLY CO ELI

  公开号：WO2004009086A1

  公开（公告）日：2004-01-29

  The present invention relates to a selective estrogen receptor modulator of formula I or a pharmaceutical acid addition salt thereof; useful, e.g., for treating endometriosis and/or uterine leiomyoma/leiomyomata.

  本发明涉及式I的选择性雌激素受体调节剂或其药用酸盐加合物；例如，用于治疗子宫内膜异位症和/或子宫平滑肌瘤。
• The Synthesis of New HetPHOX Ligands and Their Application to the Intermolecular Asymmetric Heck Reaction
  作者：Martin O. Fitzpatrick、Helge Muller-Bunz、Patrick J. Guiry

  DOI：10.1002/ejoc.200800761

  日期：——

  The synthesis of six members of the HetPHOX ligand class and the application of palladium complexes of these ligands to the intermolecular asymmetric Heck reaction is described. The tert-leucinol-derived ligands proved the most enantioselective, with palladium complexes of these ligands affording ee values of up to 96, 95 and 94 % in the phenylation, cyclohexenylation and naphthylation, respectively

  描述了 HetPHOX 配体类的六个成员的合成以及这些配体的钯配合物在分子间不对称 Heck 反应中的应用。叔亮氨酸衍生的配体被证明是最具对映选择性的，这些配体的钯配合物在 2,3-二氢呋喃的苯基化、环己烯基化和萘基化中分别提供高达 96%、95% 和 94% 的 ee 值。作为对观察到的选择性的解释的辅助，制备了最具对映选择性配体的钯配合物并获得了X射线晶体结构。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
• Palladium-catalyzed cross-coupling reactions of vinyl and aryl triflates with tetraarylborates
  作者：Pier Giuseppe Ciattini、Enrico Morera、Giorgio Ortar

  DOI：10.1016/s0040-4039(00)61293-5

  日期：1992.8

  Sodiumm tetraarylborates 2 have been found to couple efficiently with vinyl and aryl triflates 1 in the presence of a palladium(0) catalyst to afford arylalkenes and biaryls 3 in good yields and under mild conditions.

  已经发现在钯（0）催化剂存在下，四芳基硼酸钠2与乙烯基和芳基三氟甲磺酸酯1有效地偶联，从而以良好的收率和在温和的条件下提供芳基烯烃和联芳基3。
• Insulin and IGF-1 receptor agonists and antagonists
  申请人：DGI Bio Technologies LLC

  公开号：EP2368902A2

  公开（公告）日：2011-09-28

  Peptide sequences capable of binding to insulin and/or insulin-like growth factor receptors with either agonist or antagonist activity and identified from various peptide libraries are disclosed. This invention also identifies at least two different binding sites which are present on insulin and insulin-like growth factor receptors which selectively bind the peptides of this invention. As agonists, certain of the peptides of this invention may be useful for development as therapeutics to supplement or replace endogenous peptide hormones. The antagonists may also be developed as therapeutics. In one embodiment, the receptor-binding peptides comprise the core motive B6: X6X7X8X9X10X11X12X13 wherein X6 and X7 are aromatic, and X10 and X13 are hydrophobic residues.

  本发明公开了能与胰岛素和/或胰岛素样生长因子受体结合并具有激动剂或拮抗剂活性的肽序列，这些序列是从各种肽库中鉴定出来的。本发明还确定了存在于胰岛素和胰岛素样生长因子受体上的至少两个不同的结合位点，它们可选择性地结合本发明的多肽。作为激动剂，本发明的某些肽可作为治疗药物进行开发，以补充或替代内源性肽类激素。拮抗剂也可作为治疗剂开发。 在一个实施方案中，受体结合肽包括核心动机 B6： X6X7X8X9X10X11X12X13，其中 X6 和 X7 为芳香族残基，X10 和 X13 为疏水残基。
• Isulin and IGF-1 receptor agonists and antagonists
  申请人：——

  公开号：US20030236190A1

  公开（公告）日：2003-12-25

  Peptide sequences capable of binding to insulin and/or insulin-like growth factor receptors with either agonist or antagonist activity and identified from various peptide libraries are disclosed. This invention also identifies at least two different binding sites, which are present on insulin and insulin-like growth factor receptors, and which selectively bind the peptides of this invention. As agonists, certain of the peptides of this invention may be useful for development as therapeutics to supplement or replace endogenous peptide hormones. The antagonists may also be developed as therapeutics.

  本发明公开了能够与胰岛素和/或胰岛素样生长因子受体结合并具有激动剂或拮抗剂活性的肽序列，这些序列是从各种肽库中鉴定出来的。本发明还确定了至少两个不同的结合位点，它们存在于胰岛素和胰岛素样生长因子受体上，可选择性地结合本发明的多肽。作为激动剂，本发明的某些肽可作为治疗药物进行开发，以补充或替代内源性肽类激素。拮抗剂也可作为治疗剂开发。