6H-12-oxodibenzo<1,3>-dioxocine | 136514-29-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6H-12-oxodibenzo<1,3>-dioxocine
• 英文别名: dibenzo<1,3>dioxocin-12-one；12H-dibenzo[d,g]-1,3-dioxocin-12-one；12H-dibenzo[d,g][1,3]dioxocin-12-one；dibenzo[d,g][1,3]dioxocin-12-one；benzo[d][1,3]benzodioxocin-5-one
• CAS: 136514-29-9
• 化学式: C₁₄H₁₀O₃
• 分子量: 226.232
• InChiKey: FNVGZXGJWNWWMY-UHFFFAOYSA-N

物化性质

• 沸点：
  402.9±35.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6H-12-oxodibenzo<1,3>-dioxocine 在 lithium aluminium tetrahydride 作用下， 以 乙醚 、 苯 为溶剂， 反应 48.0h， 以99%的产率得到12-hydroxydibenzo[d,g][1,3]dioxocine
  参考文献：
  名称：

  Anonimova, I. V.; Yarkova, E. G.; Shaikhutdinov, R. A., Russian Journal of General Chemistry, 1993, vol. 63, # 11.1, p. 1669 - 1674

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2'-二羟基苯酮 、 二溴甲烷 在 potassium carbonate 、 N,N-二甲基甲酰胺 、 potassium iodide 作用下， 以 丁酮 为溶剂， 以91%的产率得到6H-12-oxodibenzo<1,3>-dioxocine
  参考文献：
  名称：

  Conformational study of dibenzo[d,g][1,3]dioxocin-12-one by vibrational spectroscopy and molecular mechanics

  摘要：

  Two of the four possible dibenzo [d,g] [1,3]dioxocin-12-one conformers are identified in solution from IR and Raman spectra. The experimental enthalpy difference between boat-chair (BC) and twist (T) conformers of 0.7 kcal mol-1 is obtained from temperature dependent IR spectra. Structural parameters and the potential energy difference (1.4 kcal mol-1) for these conformers are calculated by molecular mechanics. Band shape simulations and normal coordinate analysis are applied when they are necessary for interpretation of the experimental results. The conformational equilibria seems to be non-typical for cyclic systems with two planar units in 1,4 position.

  DOI：

  10.1016/0022-2860(91)87093-w

文献信息

• 1,4-disubstituted piperazines
  申请人：Novo Nordisk A/S

  公开号：US06004961A1

  公开（公告）日：1999-12-21

  The present invention relates to 1,4-disubstituted piperazines of the general formula ##STR1## wherein X, Y, Z, R.sup.1, R.sup.2 and r are as defined in the detailed part of the present description or salts thereof, to methods for their preparation, to compositions containing them, and to their use for the clinical treatment of painful, hyperalgesic and/or inflammatory conditions in which C-fibers play a pathophysiological role by eliciting neurogenic pain or inflammation as well as their use for the treatment of indications caused by or related to the secretion and circulation of insulin antagonising peptides, e.g. non-insulin-dependent diabetes mellitus (NIDDM) and ageing-associated obesity.

  本发明涉及一般式为##STR1##的1,4-二取代哌嗪化合物，其中X、Y、Z、R.sup.1、R.sup.2和r的定义在本说明书的详细部分中，或其盐，以及它们的制备方法、含有它们的组合物，以及它们用于治疗C纤维在病理生理学中通过引起神经源性疼痛或炎症所发挥的疼痛、高痛感和/或炎症病情的临床治疗，以及用于治疗由胰岛素拮抗肽分泌和循环引起或相关的疾病的指示，例如非胰岛素依赖性糖尿病（NIDDM）和与衰老相关的肥胖症。
• 4-substituted 5-polycyclylpyrimidine herbicides
  申请人：Dow AgroSciences LLC

  公开号：US05780465A1

  公开（公告）日：1998-07-14

  4-Substituted 5-polycyclylpyrimidine compounds in which the 5-substituent is polycyclic and is attached to the pyrimidine moiety through an aliphatic carbon atom, such as 5-(2,2-dimethylindan-1-yl)-4-methylthiopyrimidine, were prepared and found to possess excellent herbicidal activity. The compounds are especially useful for the control of undesirable vegetation in paddy rice.

  制备了一种5-多环基嘧啶化合物，其中5-取代基为多环基，并通过脂肪族碳原子连接到嘧啶基团上，例如5-(2,2-二甲基茚-1-基)-4-甲基硫代嘧啶，并发现其具有出色的除草活性。这些化合物特别适用于控制稻田中的不良植被。
• Novel Tricyclic-α-alkyloxyphenylpropionic Acids:  Dual PPARα/γ Agonists with Hypolipidemic and Antidiabetic Activity
  作者：Per Sauerberg、Ingrid Pettersson、Lone Jeppesen、Paul S. Bury、John P. Mogensen、Karsten Wassermann、Christian L. Brand、Jeppe Sturis、Helle F. Wöldike、Jan Fleckner、Anne-Sofie T. Andersen、Steen B. Mortensen、L. Anders Svensson、Hanne B. Rasmussen、Søren V. Lehmann、Zdenek Polivka、Karel Sindelar、Vladimira Panajotova、Lars Ynddal、Erik M. Wulff

  DOI：10.1021/jm010964g

  日期：2002.2.1

  Synthesis and structure-activity relationships of tricyclic alpha-ethoxy-phenylpropionic acid derivatives guided by in vitro PPARalpha and PPARgamma transactivation data and computer modeling led to the identification of the novel carbazole analogue, 3q, with dual PPARalpha (EC50 = 0.36 muM) and PPARgamma (EC50 = 0.17 muM) activity in vitro. Ten days treatment of db/db mice with 3q improved the insulin sensitivity, as measured by OGTT, better than that seen with both pioglitazone and rosiglitazone treatment, suggesting in vivo PPARgamma activity. Likewise, 3q lowered plasma triglycerides and cholesterol in high cholesterol fed rats after 4 days treatment, indicating in vivo PPARalpha activity. Investigations of the pharmacokinetics of selected compounds suggested that extended drug exposure improved the in vivo activity of in vitro active compounds.
• Anonimova, I. V.; Arshinova, R. P.; Litvinov, I. A., Russian Journal of Organic Chemistry, 1993, vol. 29, # 10.2, p. 1720 - 1721
  作者：Anonimova, I. V.、Arshinova, R. P.、Litvinov, I. A.、Kataeva, O. N.

  DOI：——

  日期：——
• 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES
  申请人：Dow AgroSciences LLC

  公开号：EP0843666B1

  公开（公告）日：2001-05-16