5-methyl-hexanoic acid benzyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-methyl-hexanoic acid benzyl ester
• 英文别名: 5-Methyl-hexansaeure-benzylester；Benzyl 5-methylhexanoate
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: YPSPHRIAVFCOBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-methyl-hexanoic acid benzyl ester 在 tris(2,2'-bipyridyl)ruthenium dichloride 、 1-叠氮基-1,2-苯并氧代-3(1h)-酮 作用下， 反应 24.0h， 以77%的产率得到Benzyl 5-azido-5-methylhexanoate
  参考文献：
  名称：

  可见光促进的脂肪族叔 C-H 键叠氮化和卤化自由基反应体系†

  摘要：

  开发了一种高度可调的自由基介导的反应系统，用于脂肪族叔 C-H 键的功能化。各种底物与 Zhdankin 叠氮碘烷试剂1、Ru(bpy) 3 Cl 2的反应以及室温下可见光照射，以易于控制的方式产生 C-H 叠氮化或卤化产物。这些反应高效、有选择性且与复杂底物兼容。它们提供了一种潜在的有价值的工具，用于选择性地标记有机和生物分子的三级 C-H 键，并带有不同化学和生物物理特性的标签，以进行比较功能研究。

  DOI：

  10.1039/c5sc04169d
• 作为产物：
  描述：

  4-甲基-1-戊烯 、 一氧化碳 、 苯甲醇 在 水 、 palladium dichloride 、 2-(二环己基膦)-1-(2-甲氧苯基)-1H-吡咯 作用下， 以 甲苯 为溶剂， 100.0 ℃ 、4.0 MPa 条件下， 反应 20.0h， 生成 5-methyl-hexanoic acid benzyl ester 、 benzyl 2,4-dimethylpentanoate
  参考文献：
  名称：

  钯催化烯烃的马尔可夫尼可夫烷氧羰基化反应的范围和机理

  摘要：

  加氢酯化反应代表了羰基化反应的基本类型，并且构成了均相催化的最重要的工业应用之一。在过去的70年中，已经开发了许多催化剂系统，这些系统可以进行高度线性选择（反马氏力）反应，并在工业上用于从烯烃开始生产线性羧酸盐。相比之下，用于脂族烯烃的马尔科夫尼科夫选择性烷氧基羰基化的一般催化剂体系仍然是未知的。在本文中，我们显示了由PdX 2 / N组成的特定钯催化剂体系-苯基吡咯膦（X，卤化物）催化各种烯烃的烷氧基羰基化，以高选择性（支链选择性高达91％）得到支链酯。观察到的（和意想不到的）选择性已经通过包括色散校正在内的密度泛函理论计算得到了合理化。

  DOI：

  10.1038/nchem.2586

文献信息

• Urea and thiourea compounds and compositions for cholesterol management and related uses
  申请人：Dasseux Henri Jean-Louis

  公开号：US20050192347A1

  公开（公告）日：2005-09-01

  The present invention relates to novel urea and thiourea compounds, compositions comprising urea or thiourea compounds, and methods useful for treating and preventing aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic nephropathy, diabetic retinopathy, a disorder of glucose metabolism, dyslipidemia, dyslipoproteinemia, enhancing bile production, enhancing reverse lipid transport, hypertension, impotence, inflammation, insulin resistance, lipid elimination in bile, modulating C reactive protein, obesity, oxysterol elimination in bile, pancreatitis, Parkinson's disease, a peroxisome proliferator activated receptor-associated disorder, phospholipid elimination in bile, renal disease, septicemia, metabolic syndrome disorders (e.g., Syndrome X), a thrombotic disorder, gastrointestinal disease, irritable bowel syndrome (IBS), inflammatory bowel disease (e.g., Crohn's Disease, ulcerative colitis), arthritis (e.g., rheumatoid arthritis, osteoarthritis), autoimmune disease (e.g., systemic lupus erythematosus), scleroderma, ankylosing spondylitis, gout and pseudogout, muscle pain: polymyositis/polymyalgia rheumatica/fibrositis; infection and arthritis, juvenile rheumatoid arthritis, tendonitis, bursitis and other soft tissue rheumatism. In certain embodiments, the compounds, compositions, and methods of the invention are useful in combination therapy with other therapeutics, such as hypocholesterolemic and hypoglycemic agents.

  本发明涉及新型尿素和硫脲化合物，包含尿素或硫脲化合物的组合物，以及用于治疗和预防衰老、阿尔茨海默病、癌症、心血管疾病、糖尿病肾病、糖尿病视网膜病变、葡萄糖代谢紊乱、血脂异常、脂蛋白异常、增强胆汁产生、增强逆向脂质转运、高血压、阳痿、炎症、胰岛素抵抗、胆汁中脂质的清除、调节C反应蛋白、肥胖、胆汁中氧固醇的清除、胰腺炎、帕金森病、过氧化物酶体增殖激活受体相关的疾病、胆汁中磷脂的清除、肾脏疾病、败血症、代谢综合征疾病（如X综合症）、血栓性疾病、胃肠道疾病、肠易激综合症（IBS）、炎症性肠病（如克罗恩病、溃疡性结肠炎）、关节炎（如类风湿性关节炎、骨关节炎）、自身免疫疾病（如系统性红斑狼疮）、硬皮病、强直性脊柱炎、痛风和假性痛风、肌肉疼痛：多发性肌炎/多发性肌痛症/纤维炎；感染和关节炎、儿童类风湿性关节炎、肌腱炎、滑囊炎和其他软组织风湿病的方法。在某些实施方式中，本发明的化合物、组合物和方法可与其他治疗药物（如降胆固醇和降血糖药物）联合治疗。
• Air freshening compositions, articles comprising same and methods
  申请人：The Procter & Gamble Company

  公开号：US20030024997A1

  公开（公告）日：2003-02-06

  An air freshening composition including porous carrier particles having a perfume composition entrapped therein, and a second component selected from an inert filer, hygroscopic agent, binder, coating material, moisture providing agent, and mixtures thereof. The composition may further comprise various optional components such as free perfumes, colorants, disintegrants, water swelling agents, porosity modifiers and mixtures thereof. A method for processing the compositions into a solid article includes the steps of entrapping a perfume in the porous carrier particles, heating and incorporating a carrier or binder material. The compositions may be further processed by optionally incorporating a powder inert filler and forming articles from the mixture. The articles may be formed from the compositions through prilling, extrusion, or compaction amongst other techniques. The air freshening articles and compositions will provide a sustained and controlled release of the perfume compositions over a long period of time without the use of a heat to activate the release. Articles of manufacture including the air freshening articles and various packaging are also disclosed.

  一种空气清新组合物，包括内含香水组合物的多孔载体颗粒，以及选自惰性过滤剂、吸湿剂、粘合剂、涂层材料、保湿剂及其混合物的第二种成分。组合物还可进一步包含各种可选成分，如游离香料、着色剂、崩解剂、水膨胀剂、孔隙度调节剂及其混合物。将组合物加工成固体物品的方法包括以下步骤：在多孔载体颗粒中夹带香水、加热和加入载体或粘合剂材料。组合物还可以通过加入粉末惰性填料进一步加工，并由混合物形成物品。除其他技术外，还可以通过挤压、挤出或压制等方法将混合物制成物品。这种空气清新剂制品和组合物可以在长时间内持续、可控地释放香水组合物，而无需使用热量来激活释放。此外，还公开了包括空气清新剂和各种包装在内的制造物品。
• Dryer-added fabric softening articles and methods
  申请人：The Procter & Gamble Company

  公开号：US20030013632A1

  公开（公告）日：2003-01-16

  A fabric conditioning article for use in a clothes dryer. The fabric conditioning article having a flexible sheet and a fabric conditioning composition deposited on the sheet. The fabric conditioning composition includes a fabric conditioning agent, perfumed particles and minor components. The perfume particles are a perfume composition incorporated into a porous mineral carrier such as clay and/or zeolite. Optionally, the perfume composition comprises low levels of unstable perfume components. Alternatively, the perfumed particles have a coating material encapsulating at least a portion of the particles. Optionally, the articles are packaged in a container having a moisture barrier to prevent premature release of the perfume therefrom.

  一种用于干衣机的织物护理用品。织物护理用品具有柔性薄片和沉积在薄片上的织物护理组合物。织物护理组合物包括织物护理剂、香水颗粒和次要成分。香水微粒是掺入多孔矿物载体（如粘土和/或沸石）中的香水组合物。可选地，香水组合物包括低含量的不稳定香水成分。或者，香水颗粒具有包覆至少部分颗粒的涂层材料。可选地，物品包装在具有防潮层的容器中，以防止香水从容器中过早释放。
• Consumable composition comprising perfumed particles and article containing the same
  申请人：The Procter & Gamble Company

  公开号：US20030036489A1

  公开（公告）日：2003-02-20

  Perfume delivery compositions and/or consumable compositions that include perfumed particles made of a porous inorganic mineral carrier and a perfume composition absorbed and/or adsorbed thereon. The perfume composition having low levels of certain classes of perfume ingredients that tend to be unstable when incorporated onto or into a porous mineral carrier. Articles of manufacture include the perfume delivery or consumable compositions, and a moisture impermeable container. Optionally, the moisture impermeable container is designed for single use or unit dosing of the compositions. Optionally, the moisture impermeable container is designed for bulk compositions and optionally includes a reclosable or resealable closure.

  香水递送组合物和/或消耗品组合物，包括由多孔无机矿物载体制成的香水颗粒和吸收和/或吸附在其上的香水组合物。香水组合物中某些类别的香水成分含量较低，这些香水成分在加入多孔矿物载体时往往不稳定。制造物品包括香水输送或消耗组合物，以及防潮容器。可选地，防潮容器是为组合物的一次性使用或单位剂量而设计的。可选地，防潮容器是为散装组合物设计的，并可选地包括一个可重新封闭或重新密封的封口。
• Perfume delivery system
  申请人：Frank Peter

  公开号：US20060160711A1

  公开（公告）日：2006-07-20

  Perfume delivery systems, comprising insoluble carrier particles with surface silanols, which have been grafted with an organosilane and which carry organic residues with a positively charged functional group and a fragrance adsorbed to or absorbed into the carrier particles. The perfume delivery systems impart a long lasting fragrance to fabric treated with compositions containing the perfume delivery system.

  香水输送系统，包括表面带有硅烷醇的不溶性载体颗粒，硅烷醇与有机硅烷接枝，并带有带正电官能团的有机残留物，以及吸附在载体颗粒上或被载体颗粒吸收的香料。香水输送系统可为使用含有香水输送系统的组合物处理过的织物带来持久的香味。