δ,δ-Dimethylhexanophenon | 39755-26-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: δ,δ-Dimethylhexanophenon
• 英文别名: 5,5-Dimethyl-1-phenyl-1-hexanone；5,5-dimethyl-1-phenylhexan-1-one
• CAS: 39755-26-5
• 化学式: C₁₄H₂₀O
• 分子量: 204.312
• InChiKey: HIHFAFPMKFIEKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  δ,δ-Dimethylhexanophenon 、 碘甲烷 在 sodium amide 作用下， 以 乙醚 为溶剂， 生成 1-Phenyl-2,2,5,5-tetramethyl-1-hexanon
  参考文献：
  名称：

  Photochemical synthesis. 65. Thione photochemistry. 22. Intramolecular cyclization of aralkyl thiones from S2

  摘要：

  DOI：

  10.1021/ja00436a025
• 作为产物：
  描述：

  2-乙酰基硫代苯乙酮 在 偶氮二异丁腈 、 一水合肼 、 亚磷酸三乙酯 作用下， 以 水 、 乙腈 、 苯 为溶剂， 生成 δ,δ-Dimethylhexanophenon
  参考文献：
  名称：

  使用硫醇的分子间亚磷酸酯介导的自由基脱硫烯烃烷基化

  摘要：

  我们在此报告使用亚磷酸三乙酯作为S原子受体的S原子转移过程的发展，该过程允许硫醇充当C中心自由基的前体。包括含有常见的基于杂原子的官能团的烯烃在内的一系列官能化的和电子无偏的烯烃很容易参与该还原偶联。此过程是由相对较弱的脂肪族硫醇的S–H和C–S键交换为所形成产物的C–H，C–C和S–P键所驱动。

  DOI：

  10.1021/acs.orglett.9b03018

文献信息

• Direct β-Alkylation of Ketones and Aldehydes via Pd-Catalyzed Redox Cascade
  作者：Chengpeng Wang、Guangbin Dong

  DOI：10.1021/jacs.8b03530

  日期：2018.5.16

  report a direct β-alkylation of ketones and aldehydes with simple alkyl bromides through a Pd-catalyzed redox-cascade strategy. The use of a Cu cocatalyst is important for improved efficiency. The reaction is redox-neutral, without the need for strong acids or bases. Both cyclic and acyclic ketones, as well as α-branched aldehydes, are suitable substrates for coupling with secondary and tertiary alkyl

  我们报告了通过 Pd 催化的氧化还原级联策略用简单的烷基溴对酮和醛进行直接 β-烷基化。铜助催化剂的使用对于提高效率很重要。该反应是氧化还原中性的，不需要强酸或强碱。环状和无环酮以及α-支化醛都是与仲和叔烷基溴偶联的合适底物。Zanapezil 的简明正式合成是使用这种 β-烷基化方法实现的。
• Nitrosated and nitrosylated cardiovascular compounds, compositions and methods of use
  申请人：Garvey S. David

  公开号：US20070010571A1

  公开（公告）日：2007-01-11

  The invention describes novel nitrosated and/or nitrosylated cardiovascular compounds or pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated and/or nitrosylated cardiovascular compound, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides novel compositions and kits comprising at,least one cardiovascular compound of the invention, that is optionally nitrosated and/or nitrosylated, and, optionally, at least one nitric oxide donor compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating cardiovascular diseases; (b) treating renovascular diseases; (c) treating diabetes; (d) treating diseases resulting from oxidative stress; (e) treating endothelial dysfunctions; (f) treating diseases caused by endothelial dysfunctions; (g) treating cirrhosis; (h) treating pre-eclampsia; (j) treating osteoporosis; and (k) treating nephropathy. The nitrosated and/or nitrosylated cardiovascular compounds are preferably nitrosated and/or nitrosylated P-adrenergic antagonists, nitrosated and/or nitrosylated angiotensinconverting enzyme (ACE) inhibitors, nitrosated and/or nitrosylated anti-hyperlipidemic compounds, and nitrosated and/or nitrosylated antithrombotic and vasodilator compounds.

  该发明描述了新型的硝化和/或亚硝化心血管化合物或其药学上可接受的盐，以及包含至少一种硝化和/或亚硝化心血管化合物的新型组合物和，可选地，至少一种一氧化氮供体和/或至少一种治疗剂。该发明还提供了包含该发明中至少一种心血管化合物的新型组合物和试剂盒，该心血管化合物可选地被硝化和/或亚硝化，可选地包括至少一种一氧化氮供体化合物和/或至少一种治疗剂。该发明还提供了治疗心血管疾病、治疗肾血管疾病、治疗糖尿病、治疗氧化应激导致的疾病、治疗内皮功能障碍、治疗由内皮功能障碍引起的疾病、治疗肝硬化、治疗先兆子痫、治疗骨质疏松症和治疗肾病的方法。硝化和/或亚硝化心血管化合物优选为硝化和/或亚硝化P-肾上腺素受体拮抗剂、硝化和/或亚硝化血管紧张素转化酶（ACE）抑制剂、硝化和/或亚硝化抗高脂化合物和硝化和/或亚硝化抗血栓和血管扩张化合物。
• Nitrosated and Nitrosylated Compounds, Compositions and Methods for the Treatment of Ophthalmic Disorders
  申请人：Letts L. Gordon

  公开号：US20080300292A1

  公开（公告）日：2008-12-04

  The invention describes novel nitrosated and/or nitrosylated compounds or pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated and/or nitrosylated compound, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides novel compositions and kits comprising at least one compound of the invention, that is optionally nitrosated and/or nitrosylated, and, optionally, at least one nitric oxide donor compound and/or at least one therapeutic agent. The invention also provides methods for treating ophthalmic disorders. The nitrosated and/or nitrosylated compounds are preferably nitrosated and/or nitrosylated (3-adrenergic antagonists and nitrosated and/or nitrosylated angiotensin-converting enzyme (ACE) inhibitors.

  本发明描述了新型的硝化和/或亚硝化化合物或其药学上可接受的盐，以及至少包含一种硝化和/或亚硝化化合物的新型组合物，以及可选地，至少一种一氧化氮供体和/或至少一种治疗剂。本发明还提供了至少包含本发明化合物的新型组合物和套件，该化合物可选择进行硝化和/或亚硝化，以及可选地，至少一种一氧化氮供体化合物和/或至少一种治疗剂。本发明还提供了治疗眼科疾病的方法。硝化和/或亚硝化化合物最好是硝化和/或亚硝化的（3-肾上腺素受体拮抗剂和硝化和/或亚硝化的血管紧张素转换酶（ACE）抑制剂）。
• Nitrosated glutamic acid compounds, compositions and methods of use
  申请人：Garvey S. David

  公开号：US20070037821A1

  公开（公告）日：2007-02-15

  The invention describes novel nitrosated glutamic acid compounds and pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated glutamic acid compound, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides novel kits comprising at least one nitrosated glutamic acid compound, and, and, optionally, at least one nitric oxide donor compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating cardiovascular diseases; (b) treating renovascular diseases; (c) treating diabetes; (d) treating diseases resulting from oxidative stress; (e) treating endothelial dysfunctions; (f) treating diseases caused by endothelial dysfunctions; (g) treating cirrhosis; (h) treating pre-eclampsia; (j) treating osteoporosis; (k) treating nephropathy; (l) treating diseases resulting from elevated levels of gamma-glutamyl transpeptidase and (m) the targeted delivery of compounds and nitric oxide to organs, cells or tissues containing the enzyme gamma-glutamyl transpeptidase.

  该发明描述了新型的硝化谷氨酸化合物及其药学上可接受的盐，以及包含至少一种硝化谷氨酸化合物，和/或至少一种一氧化氮供体和/或至少一种治疗剂的新型组合物。该发明还提供了包含至少一种硝化谷氨酸化合物，和/或至少一种一氧化氮供体化合物和/或至少一种治疗剂的新型试剂盒。该发明还提供了治疗心血管疾病、肾血管疾病、糖尿病、氧化应激引起的疾病、内皮功能障碍、内皮功能障碍引起的疾病、肝硬化、先兆子痫、骨质疏松症、肾病、γ-谷氨酰转移酶水平升高引起的疾病以及将化合物和一氧化氮有针对性地输送到含有γ-谷氨酰转移酶的器官、细胞或组织的方法。
• NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：EARL Richard A.

  公开号：US20100093671A1

  公开（公告）日：2010-04-15

  The invention describes novel nitrosated nonsteroidal antiinflammatory drugs (NSAIDs) and pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated NSAID, and, optionally, at least one compound that donates, transfers or releases nitric oxide, stimulates endogenous synthesis of nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor or is a substrate for nitric oxide synthase, and/or at least one therapeutic agent. The invention also provides novel compositions comprising at least one nitrosated NSAID, and at least one compound that donates, transfers or releases nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor, stimulates endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or at least one therapeutic agent. The invention also provides novel kits comprising at least one nitrosated NSAID, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides methods for treating inflammation, pain and fever; for treating gastrointestinal disorders; for facilitating wound healing; for treating and/or preventing gastrointestinal, renal and/or respiratory toxicities resulting from the use of nonsteroidal antiinflammatory compounds; for treating inflammatory disease states and/or disorders; and for treating and/or preventing ophthalmic diseases and/or disorders.

  该发明描述了新型亚硝酰化非甾体抗炎药（NSAIDs）及其药学上可接受的盐，并且描述了至少包含一种亚硝酰化NSAID和可选的至少一种化合物的新型组合物，该化合物捐赠、转移或释放一氧化氮，刺激内源性一氧化氮的合成，提高内源性内皮源性松弛因子的水平或是一氧化氮合酶的底物，并/或至少包含一种治疗剂。该发明还提供了至少包含一种亚硝酰化NSAID和至少一种化合物的新型组合物，该化合物捐赠、转移或释放一氧化氮，提高内源性内皮源性松弛因子的水平，刺激内源性一氧化氮的合成或是一氧化氮合酶的底物，并/或至少包含一种治疗剂。该发明还提供了至少包含一种亚硝酰化NSAID，可选的至少一种一氧化氮供体和/或至少一种治疗剂的新型试剂盒。该发明还提供了治疗炎症、疼痛和发热的方法；治疗胃肠道疾病的方法；促进伤口愈合的方法；治疗和/或预防使用非甾体抗炎化合物导致的胃肠道、肾脏和/或呼吸道毒性的方法；治疗炎症性疾病状态和/或疾病的方法；以及治疗和/或预防眼科疾病和/或疾病的方法。