(+)-(3S,4S)-3,4-dimethylcyclohexanone | 113348-79-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (+)-(3S,4S)-3,4-dimethylcyclohexanone
• 英文别名: trans-3,4-dimethylcyclohexanone；trans (ea)-3,4-Dimethylcyclohexanon；trans-3,4-Dimethyl-cyclohexanon；cis-3,4-Dimethylcyclohexanon；(3S,4S)-3,4-dimethylcyclohexanone；(3S,4S)-3,4-dimethylcyclohexan-1-one
• CAS: 113348-79-1
• 化学式: C₈H₁₄O
• 分子量: 126.199
• InChiKey: ZDCYWXYPRPCJOY-BQBZGAKWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  trans-3,4-dimethylcyclohexan-1-ol 在 chromium(VI) oxide 、 硫酸 作用下， 反应 17.0h， 以80%的产率得到(+)-(3S,4S)-3,4-dimethylcyclohexanone
  参考文献：
  名称：

  Enzymes in organic synthesis. 42. Stereoselective horse liver alcohol dehydrogenase catalyzed reductions of heterocyclic bicyclic ketones

  摘要：

  DOI：

  10.1021/jo00243a004

文献信息

• C–H Oxidation by H₂O₂ and O₂ Catalyzed by a Non-Heme Iron Complex with a Sterically Encumbered Tetradentate N-Donor Ligand
  作者：Qiao Zhang、John D. Gorden、Christian R. Goldsmith

  DOI：10.1021/ic402501k

  日期：2013.12.2

  substrates, the neopentyl groups destabilize the metal-based oxidants generated from H2O2 and the Fe(II) complex. The presence of benzylic substrates with weak C–H bonds stabilizes an intermediate which we have tentatively assigned as a high-spin ferric hydroperoxide species. The oxidant generated from O2 reacts with allylic and benzylic C–H bonds in the absence of a sacrificial reductant; less substrate

  的化合物Ñ，N' -dineopentyl- Ñ，Ñ ' -双（2-吡啶基甲基）-1,2-乙二胺（dnbpn）及其亚铁复杂的[Fe（dnbpn）（OTF）2 ]合成的。Fe（II）络合物用于催化H 2 O 2和O 2氧化烃。尽管H 2 O 2催化了烷烃的氧化与大多数先前报道的非血红素铁催化剂相关的那些相比，对叔碳显示出对仲碳而不是叔碳的更高的偏好，催化活性显着降低。除了将催化的氧化导向底物的较少拥挤的C–H键外，新戊基还使由H 2 O 2和Fe（II）络合物生成的金属基氧化剂不稳定。具有弱C–H键的苄基底物的存在稳定了一种中间体，我们暂时将其定为高纺氢过氧化铁物种。由O 2产生的氧化剂在不存在牺牲性还原剂的情况下与烯丙基和苄基CH键反应；与使用O 2作为末端氧化剂的相关先前描述的系统相比，观察到的底物脱氢更少。
• Bicyclic androgen and progesterone receptor modulator compounds and methods
  申请人：Zhi Lin

  公开号：US20050288350A1

  公开（公告）日：2005-12-29

  The present invention is directed to compounds, pharmaceutical compositions, and methods for modulating processes mediated by AR and PR. More particularly, the invention relates to nonsteroidal compounds and compositions that are high affinity, high specificity agonists, partial agonists (i.e., partial activators and/or tissue-specific activators) and antagonists for AR and PR. Also provided are methods of making such compounds and pharmaceutical compositions, as well as critical intermediates used in their synthesis.

  本发明涉及化合物、制药组合物和调节由AR和PR介导的过程的方法。更具体地，本发明涉及非甾体化合物和组合物，它们是高亲和力、高特异性的AR和PR激动剂、部分激动剂（即部分激活剂和/或组织特异性激活剂）和拮抗剂。还提供了制备这些化合物和制药组合物的方法，以及在它们的合成中使用的关键中间体。
• NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE
  申请人：Wong Michael K.

  公开号：US20130012434A1

  公开（公告）日：2013-01-10

  The present invention relates to compounds of the general formula: wherein ring A, ring B, R1, R3, Z, L1, and L2 are selected independently of each other and are as defined herein, to compositions comprising the compounds, and to methods of using the compounds as glucagon receptor antagonists and for the treatment or prevention of type 2 diabetes and conditions related thereto.

  本发明涉及通式化合物：其中环A、环B、R1、R3、Z、L1和L2是彼此独立选择并如下所定义的，以及包含该化合物的组合物，以及使用该化合物作为胰高血糖素受体拮抗剂以及治疗或预防2型糖尿病及相关疾病的方法。
• CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS
  申请人：THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS

  公开号：US20160214097A1

  公开（公告）日：2016-07-28

  The invention provides simple small molecule, non-heme iron catalyst systems with broad substrate scope that can predictably enhance or overturn a Substrate Control Catalyst Control substrate's inherent reactivity preference for sp3-hybridized C—H bond oxidation. The invention also provides methods for selective aliphatic C—H bond oxidation. Furthermore, a structure-based catalyst reactivity model is disclosed that quantitatively correlates the innate physical properties of the substrate to the site-selectivities observed as a function of the catalyst. The catalyst systems can be used in combination with oxidants such as hydrogen peroxide to effect highly selective oxidations of unactivated sp3 C—H bonds over a broad range of substrates.

  本发明提供了简单的小分子、非血红素铁催化剂系统，具有广泛的底物范围，可以可预测地增强或颠覆基质控制催化剂控制底物对sp3杂化C-H键氧化的固有反应性偏好。本发明还提供了选择性脂肪族C-H键氧化的方法。此外，还公开了一种基于结构的催化剂反应性模型，该模型定量地将底物的固有物理性质与作为催化剂函数的位点选择性相互关联。这些催化剂系统可以与过氧化氢等氧化剂结合使用，对广泛的底物进行高度选择性的未活化的sp3 C-H键氧化。
• LAM, LISTER K. P.;GAIR, IAIN A.;JONES, J. BRYAN, J. ORG. CHEM., 53,(1988) N 8, 1611-1615
  作者：LAM, LISTER K. P.、GAIR, IAIN A.、JONES, J. BRYAN

  DOI：——

  日期：——

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