4,4-二甲基庚烷-2,6-二酮 | 16764-90-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4,4-二甲基庚烷-2,6-二酮
• 英文名称: 4,4-dimethylheptane-2,6-dione
• 英文别名: 4,4-Dimethyl-2,6-heptandion
• CAS: 16764-90-2
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: LVSKTRDAGSRUPS-UHFFFAOYSA-N

物化性质

• 沸点：
  70-80 °C(Press: 3 Torr)
• 密度：
  0.911±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4-二甲基庚烷-2,6-二酮 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 生成 异佛尔酮
  参考文献：
  名称：

  Antihypertensive dihydropyridines with 1,4,4-trisubstitution

  摘要：

  Dihydropyridines with 1,4,4-trisubstitution were synthesized and tested for antihypertensive activity in a spontaneously hypertensive rat model. This substitution pattern on the dihydropyridine nucleus differs markedly from that found most active in the structure-activity relationship established for nifedipine-like compounds. However, some were found to significantly lower blood pressure at testing doses (30 mg/kg, ip and 100 mg/kg, po) for up to 24 h. Methyl 1,4-dihydro-4,4-dimethyl-1-pyridinepropanoate (2-1), for example, lowered blood pressure 71 mmHg at 30 mg/kg, ip and the effect endured for greater than 24 h. Unlike prototypical dihydropyridines such as nifedipine, these compounds did not seem to have any effect on calcium channels.

  DOI：

  10.1021/jm00163a037
• 作为产物：
  描述：

  (2Z,7Z)-3,5,5,7-tetramethyl-cycloocta-2,7-dienone 生成 4,4-二甲基庚烷-2,6-二酮
  参考文献：
  名称：

  Bianchetti,G. et al., Gazzetta Chimica Italiana, 1967, vol. 97, p. 872 - 884

  摘要：

  DOI：

文献信息

• Copper(II)-Catalyzed Tandem Decarboxylative Michael/Aldol Reactions Leading to the Formation of Functionalized Cyclohexenones
  作者：Jeonghyo Lee、Sibin Wang、Miranda Callahan、Pavel Nagorny

  DOI：10.1021/acs.orglett.8b00607

  日期：2018.4.6

  followed by in situ aldolization, which results in highly functionalized chiral and achiral cyclohexenones. The achiral version of this Robinson annulation features a hitherto unprecedented Michael reaction of β-keto acids with sterically hindered β,β′-substituted enones and provides access to all carbon quaternary stereocenter-containing cyclohexenones (11 examples, 43–83% yield). In addition, an asymmetric

  这项工作描述了一种新的单锅铜（II）催化的β-酮酸和烯酮之间的脱羧迈克尔反应，然后进行原位醛醇缩合反应，从而导致高度官能化的手性和非手性环己烯酮的开发。该罗宾逊环空的非手性版本具有迄今空前的β-酮酸与空间受阻的β，β'-取代的烯酮的迈克尔反应，并提供了所有含碳四元立体中心的环己烯酮的通道（11个实例，产率43-83％）。此外，还设计了一种不对称的手性双（恶唑啉）铜（II）催化的单锅罗宾逊环化法，用于制备手性环己烯酮，包括一些含有邻位立体中心的产品（5个实例，产率为65-85％，84-94％ ee）。
• PRODRUGS OF GUANFACINE
  申请人：Whomsley Rhys

  公开号：US20110065796A1

  公开（公告）日：2011-03-17

  Prodrugs of guanfacine with amino acids or short peptides, pharmaceutical compositions containing such prodrugs and a method for providing therapeutic benefit in the treatment of ADHD/ODD (attention deficient hyperactivity disorder and oppositional defiance disorder) with guanfacine prodrugs are provided herein. Additionally, methods for minimizing or avoiding the adverse gastrointestinal side effects associated with guanfacine administration, as well as improving the pharmacokinetics of guanfacine are provided herein.

  本文提供了具有氨基酸或短肽的瓜那非辛前药、含有这种前药的药物组合物以及一种利用瓜那非辛前药在治疗注意力缺陷多动障碍/反抗性违抗障碍（ADHD/ODD）中提供治疗益处的方法。此外，本文还提供了减少或避免与瓜那非辛给药相关的不良胃肠道副作用的方法，以及改善瓜那非辛的药代动力学的方法。
• [EN] PYRROLOPYRAZINE DERIVATIVES AS SYK AND JAK INHIBITORS<br/>[FR] DÉRIVÉS DE PYRROLOPYRAZINE COMME INHIBITEURS DE SYK ET JAK
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011144584A1

  公开（公告）日：2011-11-24

  The present invention relates to the use of novel pyrrolopyrazine derivatives of Formula (I), wherein the variables Q and R1 and R2 are defined as described herein, which inhibit JAK and SYK and are useful for the treatment of auto-immune and inflammatory diseases.

  本发明涉及使用新型吡咯吡嗪衍生物的方法，其化学式如下（I），其中变量Q和R1和R2的定义如本文所述，该方法抑制JAK和SYK，适用于治疗自身免疫性和炎症性疾病。
• SYNTHESIS OF UV ABSORBING COMPOUNDS
  申请人：CORAL SUNSCREEN PTY LTD

  公开号：US20150299124A1

  公开（公告）日：2015-10-22

  A method of synthesis is provided to obtain a range of UV absorbing compounds. The method broadly involves (a) the reduction of a glutarimide or its reaction with a carbon nucleophile; (b) when step (a) is a reduction, exposing the product of step (a) to an acidic environment to form a cyclic amide; (c) reducing the product of step (a) or step (b) to form a corresponding enamine; and subjecting the enamine product of step (c) to an acylation.

  提供了一种合成方法以获得一系列UV吸收化合物。该方法广泛涉及(a)谷氨酰亚胺的还原或其与碳亲核试剂的反应；(b)当步骤(a)是还原时，将步骤(a)的产物暴露于酸性环境中形成环状酰胺；(c)还原步骤(a)或步骤(b)的产物以形成相应的恩酰胺；并将步骤(c)的恩酰胺产物置于酰化作用中。
• Catalyzed aldol condensations
  申请人：UNION CARBIDE CORPORATION

  公开号：EP0095783A2

  公开（公告）日：1983-12-07

  Heat treated anionic clay mineral is an improved catalyst for the conversion of acetone to mesityl oxide and isophorone as well as for the aldol condensation of other carbonyl-containing compounds.

  经过热处理的阴离子粘土矿物是一种经过改良的催化剂，可用于将丙酮转化为氧化甲硅烷基和异佛尔酮，以及其他含羰基化合物的醛醇缩合。