α-naphtholate | 17545-30-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: α-naphtholate
• 英文别名: 1-Naphtholate anion；Naphtholate；naphthalen-1-olate
• CAS: 17545-30-1
• 化学式: C₁₀H₇O
• 分子量: 143.165
• InChiKey: KJCVRFUGPWSIIH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  α-naphtholate 在 azide radical 作用下， 以 水 为溶剂， 生成 1-naphthoxyl radical
  参考文献：
  名称：

  Two Channels of Electron Transfer Observed for the Reaction of n-Butyl Chloride Parent Radical Cations with Naphthols and Hydroxybiphenyls

  摘要：

  Pulse radiolysis of naphthols (NpOH) and hydroxybiphenyls (ByOH) in n-butyl chloride (BuCl) at room temperature exhibits electron transfer at a bimolecular rate constant of (1.0-2.8) x 10(10) dm(3) mol(-1) s(-1). The experiments reveal the direct formation of two types of transients: phenol type radical cations (NpOH.+, ByOH(.+)) and phenoxyl type radicals (NpO., ByO(.)). This is explained by a mechanism involving two different electron-transfer channels. The solute radical cations exhibit two optical absorption bands in the 570-650 and 360-460 nm regions and undergo electron transfer with triethylamine and proton transfer with ethanol with bimolecular rate constants of (4-12) x 10(9) and (3-6) x 10(8) dm(3) mol(-1) s(-1), respectively. NpO. and ByO(.) have relatively long lifetimes and show absorption bands in the 340-400 and 470-540 nm regions. By way of comparison, these phenoxyl type radicals are separately generated by pulse radiolysis in aqueous alkaline solution containing sodium azide, i.e., by oxidation of the solutes with N-3(.) radicals. Under these conditions, the phenoxyl radicals decay by second-order kinetics with 2k = (1.2-4.5) x 10(8) dm(3) mol(-1) s(-1). The various modes of formation and decay of the phenolic radical cations are analyzed over a wide range of dose rate and solute concentrations: In comparison to radical cations of one-ring phenols, the increased stability of NpOH.+ and ByOH(.+) is explained by the delocalization of the positive charge over the whole aromatic system, a postulate supported by open-shell quantum chemical calulations.

  DOI：

  10.1021/jp9808431
• 作为产物：
  描述：

  氧代[10]环轮烯 在 potassium amide 作用下， 以 氨 为溶剂， 生成 α-naphtholate
  参考文献：
  名称：

  酰胺钾将1,6-氧化[10]环戊烯异构化为1-萘酚

  摘要：

  1，6-Oxido（10）环戊烯（）根据nmr定量形成1-萘甲酸根阴离子（在低温下与酰胺钾在液态氨中反应时）。

  DOI：

  10.1016/s0040-4039(00)88372-0
• 作为试剂：
  描述：

  在 α-naphtholate 、 sodium perchlorate 、 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 3-nitrobenzenediazonium
  参考文献：
  名称：

  Broxton, Trevor J.; McLeish, Michael J., Australian Journal of Chemistry, 1983, vol. 36, # 1, p. 55 - 66

  摘要：

  DOI：

文献信息

• An efficient synthesis of (R)-(+)- and (S)-(-)-propranolol from resolved 5-idomethyloxazo-lidin-2-ones
  作者：Giuliana Cardillo、Mario Orena、Sergio Sandri、Claudia Tomasini

  DOI：10.1016/s0040-4020(01)81657-4

  日期：——

  5S,R)-3-(1'-phenyleth-l'-yl)-5-iodomethyloxazolidin-2-ones, , have been synthesized and easily resolved by silica gel chromatography. Each pure diastereomer has been then converted to (S)-(-)-propranolol and (R)-(+)-propranolol , respectively. An empirical correlation of configuration and 1H NMR chemical shift for alternate diastereomers has been devised and has proved to be applicable in assigning

  （1'S *，5S，R）-3-（1'-苯基乙-1'-基）-5- iodomethyloxazolidin -2-酮，，已被合成，并通过硅胶色谱法容易地得到解决。然后将每种纯的非对映异构体分别转化为（S）-（-）-普萘洛尔和（R）-（+）-普萘洛尔。已经设计了与非对映异构体的构型和1 H NMR化学位移的经验相关性，并已证明可用于分配5-取代的3-（1'-苯基乙基-1'-基）草氮杂环丁烷-2-酮的构型。
• Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer
  申请人：——

  公开号：US20030229120A1

  公开（公告）日：2003-12-11

  Novel ligands for the HisB10 Zn 2+ sites of the R-state insulin hexamer that are capable of prolonging the action of insulin preparations are disclosed.

  本发明公开了能够延长胰岛素制剂作用的R态胰岛素六聚体HisB10 Zn2+位点的新型配体。
• Stabilised insulin compositions
  申请人：Kaarsholm Christian Niels

  公开号：US20050065066A1

  公开（公告）日：2005-03-24

  The present invention provides pharmaceutical compositions comprising insulin and novel ligands for the His B10 Zn 2+ sites of the R-state insulin hexamer. The resulting preparations have improved physical and chemical stability.

  本发明提供了含有胰岛素和新型配体的药物组合物，用于R-状态胰岛素六聚体的HisB10Zn2+位点。由此制备出的制剂具有改善的物理和化学稳定性。
• Pharmaceutical preparations comprising acid-stabilised insulin
  申请人：Ostergaard Soren

  公开号：US20060069013A1

  公开（公告）日：2006-03-30

  Novel ligands for the HisB10 Zn 2+ sites of the R-state insulin hexamer that are capable of prolonging the action of insulin preparations are disclosed.

  本发明揭示了能够延长胰岛素制剂作用的R态胰岛素六聚体的HisB10 Zn2+位点的新型配体。
• Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand
  申请人：Kaarsholm Niels Christian

  公开号：US20090123563A1

  公开（公告）日：2009-05-14

  Novel preparations comprising branched ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer. The preparations have a prolonged action designed for flexible injection regimes.

  这段话的中文翻译如下：使用分支配体的新型制备物，用于R-状态胰岛素六聚体的HisB10 Zn2+位点。这些制备物具有长效作用，旨在为灵活的注射方案设计。