2-羟基环己酮二聚物 | 60308-50-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 中文名称: 2-羟基环己酮二聚物
• 英文名称: 2-hydroxycyclohexanone dimer
• 英文别名: adipoin；1,8-dihydroxy-9,14-dioxa-tricyclo(8.4.0.0^8,13)tetradecane；1,2,3,4,5a,6,7,8,9,10a-Decahydrodibenzo-p-dioxin-4a,9a-diol
• CAS: 60308-50-1
• 化学式: C₁₂H₂₀O₄
• mdl: MFCD00151157
• 分子量: 228.288
• InChiKey: OLLWHBLCQGPTMZ-UHFFFAOYSA-N

物化性质

• 熔点：
  100-107 °C(lit.)
• 沸点：
  83-86 °C13 mm Hg(lit.)
• 密度：
  1.297±0.06 g/cm3(Predicted)
• 闪点：
  175 °F

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  F,Xi
• 海关编码：
  2932999099
• 危险品运输编号：
  UN 1325 4.1/PG 3

反应信息

• 作为反应物：
  描述：

  2-羟基环己酮二聚物 在 sodium periodate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 16.0h， 以80%的产率得到6-氧代己酸
  参考文献：
  名称：

  New advances in stereoselective Meyers’ lactamization. Application to the diastereoselective synthesis of β-substituted oxazoloazepinones

  摘要：

  A stereoselective approach to the preparation of 7,5-fused bicyclic lactams based on Meyers' lactamization is presented. The lactamization step is conducted at 0 degrees C with 6-oxohexanoic acid 1 and with various chiral aminoalcohols in the presence of 2-fluoro-1-ethylpyridinium tetrafluoroborate (FEP) as an activating agent. Under these mild conditions, bicyclic lactams 2-4 were obtained in satisfactory yields and diastereoselectivities Lip to 95%. To account for the high level of diastereoselection, the mechanistic aspects of Meyers' lactamization were investigated by means of in situ infrared spectroscopy. Finally, the lactam enolate derived from 2 was subjected to reaction with various electrophiles, furnishing the corresponding beta-substituted oxazoloazepinones 5-9 in good yields (up to 86%) and in moderate to excellent diastereoselectivities ranging from 27% to 95% de. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.10.014
• 作为产物：
  描述：

  2-羟基环己酮二聚物 生成 2-羟基环己酮二聚物
  参考文献：
  名称：

  Ring-Fused Cyclopropanone N,O-Acetals. Electrochemical Preparation and Their Reactivities under Acidic Conditions

  摘要：

  DOI：

  10.1021/jo980687u

文献信息

• COFERONS AND METHODS OF MAKING AND USING THEM
  申请人：Barany Francis

  公开号：US20120295874A1

  公开（公告）日：2012-11-22

  The present invention is directed to a monomer useful in preparing therapeutic compounds. The monomer includes one or more pharmacophores which potentially binds to a target molecule with a dissociation constant of less than 300 μM and a linker element connected to the pharmacophore. The linker element has a molecular weight less than 500 daltons, is connected, directly or indirectly through a connector, to the pharmacophore.

  本发明涉及一种用于制备治疗性化合物的单体。该单体包括一个或多个可与目标分子结合的药效团，其解离常数小于300微摩尔，以及与药效团连接的连接元素。所述连接元素的分子量小于500道尔顿，通过直接连接或通过连接器间接与药效团相连。
• [EN] BENZYL-SUBSTITUTED TETRACYCLIC HETEROCYCLIC COMPOUNDS AS PDE5 INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES TÉTRACYCLIQUES À SUBSTITUTION BENZYLE COMME INHIBITEURS DE PDE5
  申请人：NYCOMED GMBH

  公开号：WO2010015589A1

  公开（公告）日：2010-02-11

  The present invention pertains to Benzyl-substituted tetracyclic heterocyclic compounds, as well as the resulting pharmaceutical compositions, and their use in the treatment or prophylaxis of diseases alleviated by inhibition of type 5 phosphodiesterases. Furthermore, the present invention pertains to the methods of manufacturing these Benzyl-substituted tetracyclic heterocyclic compounds.

  本发明涉及苄基取代的四环杂环化合物，以及由此得到的药物组合物，以及它们在治疗或预防通过抑制5型磷酸二酯酶缓解的疾病中的应用。此外，本发明涉及制造这些苄基取代的四环杂环化合物的方法。
• [EN] AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV<br/>[FR] COMPOSÉS D'AZA-INDOLE ET PROCÉDÉS POUR TRAITER LE VIH
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2013012649A1

  公开（公告）日：2013-01-24

  Provided are compounds and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and their use for treating viral infections mediated by a member of the retrovirus family of viruses such as the Human Immunodeficiency Virus (HIV).

  提供的是化合物及其药用盐，它们的药物组合物，它们的制备方法，以及它们用于治疗由逆转录病毒家族成员介导的病毒感染，如人类免疫缺陷病毒（HIV）的用途。
• Chemoselective Pd-Catalyzed Oxidation of Polyols: Synthetic Scope and Mechanistic Studies
  作者：Kevin Chung、Steven M. Banik、Antonio G. De Crisci、David M. Pearson、Timothy R. Blake、Johan V. Olsson、Andrew J. Ingram、Richard N. Zare、Robert M. Waymouth

  DOI：10.1021/ja4008694

  日期：2013.5.22

  9-dimethyl-1,10-phenanthroline) occurs readily under mild reaction conditions to generate α-hydroxy ketones. The oxidation of vicinal diols is both faster and more selective than the oxidation of primary and secondary alcohols; vicinal 1,2-diols are oxidized selectively to hydroxy ketones, whereas primary alcohols are oxidized in preference to secondary alcohols. Oxidative lactonization of 1,5-diols yields

  在温和的反应条件下，未保护的邻位多元醇与 [(neocuproine)Pd(OAc)]2(OTf)2 (1)（neocuproine = 2,9-二甲基-1,10-菲咯啉）的区域和化学选择性氧化很容易发生生成α-羟基酮。邻二醇的氧化比伯醇和仲醇的氧化速度更快，选择性更强；邻位 1,2-二醇被选择性氧化为羟基酮，而伯醇优先于仲醇氧化。1,5-二醇的氧化内酯化产生环内酯。在 10 克规模的氧化反应中，可以使用低至 0.12 mol% 的催化剂负载量。在多元醇 (S,S)-1,2,3,4-四羟基丁烷 [(S,S)-苏糖醇] 到 (S)-赤藓酮糖的化学选择性和立体定向氧化过程中，该催化剂体系的卓越选择性是显而易见的。机械的，动力学和理论研究表明，伯醇和仲醇的氧化速率定律与二醇不同。密度泛函理论计算支持以下结论：β-氢化物消除产生羟基酮是邻二醇氧化的产物决定因素，而对于伯醇和仲醇，有利于伯醇盐的预平
• 6-Benzyl-2,3,4,7-tetrahydro-indolo[2,3-c]quinoline compounds useful as PDE5 inhibitors
  申请人：Nycomed GmbH

  公开号：EP1953159A1

  公开（公告）日：2008-08-06

  The compounds of formula (I) wherein R1 to R8 and R11 have the meanings as given in the description, the salts thereof, the N-oxides of the compounds and the salts thereof, and the stereoisomers of the compounds, the salts, the N-oxides of the compounds and the N-oxides of the salts thereof are effective inhibitors of the type 5 phosphodiesterase.

  式（I）中的化合物，其中R1至R8和R11的含义如描述中所示，其盐，化合物的N-氧化物及其盐，化合物的立体异构体，盐，化合物的N-氧化物及其盐的N-氧化物是有效的第5型磷酸二酯酶抑制剂。