3,5-二甲基己酸 | 60308-87-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3,5-二甲基己酸
• 英文名称: 3,5-dimethyl hexanoic acid
• 英文别名: (+/-)-3,5-Dimethyl-hexansaeure；3,5-dimethylcaproic acid；racemic 2.4-dimethyl-pentane-carboxylic acid-(1)；Racemische 2.4-Dimethyl-pentan-carbonsaeure-(1)；3,5-Dimethylhexanoic acid
• CAS: 60308-87-4
• 化学式: C₈H₁₆O₂
• mdl: MFCD02258569
• 分子量: 144.214
• InChiKey: KTWWTCBUJPAASC-UHFFFAOYSA-N

物化性质

• 沸点：
  118.5-119.5 °C(Press: 14 Torr)
• 密度：
  0.9012 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5-二甲基己酸 在 硫酸 氯化亚砜 、 乙醇 、 sodium hydride 、 三乙胺 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 9.5h， 生成 (S)-(-)-diethyl (1,3-dimethylbutyl)ethylmalonate
  参考文献：
  名称：

  Synthesis and absolute configuration of (R)-(+)- and (S)-(-)-5-(1,3-dimethylbutyl)-5-ethylbarbituric acid

  摘要：

  DOI：

  10.1021/jo00140a004
• 作为产物：
  描述：

  4-甲基-2-戊酮 在 platinum on activated charcoal 氢氧化钾 、 氢气 、 sodium ethanolate 作用下， 以 乙醇 、 水 为溶剂， 反应 3.92h， 生成 3,5-二甲基己酸
  参考文献：
  名称：

  Synthesis and absolute configuration of (R)-(+)- and (S)-(-)-5-(1,3-dimethylbutyl)-5-ethylbarbituric acid

  摘要：

  DOI：

  10.1021/jo00140a004

文献信息

• FLAVOR COMPOSITION OR FRAGRANCE COMPOSITION, PRODUCT CONTAINING THE FLAVOR COMPOSITION OR FRAGRANCE COMPOSITION, AND NOVEL ESTER COMPOUND
  申请人：Aida Takashi

  公开号：US20100081725A1

  公开（公告）日：2010-04-01

  Disclosed is a 2-methyl-2-pentenyl ester represented by the general formula (1) [wherein R represents a hydrogen atom or a hydrocarbon group having 1 to 9 carbon atoms which may have a substituent]. The compound has a new-type, unprecedented aroma and/or flavor, particularly a fruity, greenish or floral aroma and/or flavor. The compound can be added to a flavor or fragrance composition in an amount of 0.001 to 30 wt %. The flavor or fragrance composition can be added to a cosmetic product, a toiletry product, a bath agent, a food, a beverage or a pharmaceutical product in an amount of 0.0001 to 30 wt %. All of the compounds of the general formula (1) are novel, except for those compounds of the general formula (1) wherein R represents a methyl group, an isopropyl group, a phenyl group or a mesityl group.

  本发明公开了一种2-甲基-2-戊烯基酯，其通式表示为（1）[其中R代表氢原子或具有1至9个碳原子的碳氢基团，该碳氢基团可以具有取代基]。该化合物具有一种新型、前所未有的香气和/或味道，特别是一种果香、绿色或花香和/或味道。该化合物可以以0.001至30重量％的量添加到香料或香精组合物中。香料或香精组合物可以以0.0001至30重量％的量添加到化妆品、洗涤用品、沐浴剂、食品、饮料或制药产品中。通式（1）的所有化合物都是新型的，除了其中R代表甲基基团、异丙基基团、苯基团或三甲苯基团的化合物。
• PROCESS FOR THE PURIFICATION OF LANTHANIDE CARBOXYLATES
  申请人：Biagini Paolo

  公开号：US20070232794A1

  公开（公告）日：2007-10-04

  A process is described for the purification of lanthanide carboxylates which comprises a step in which the hydrocarbon solution deriving from the synthesis of lanthanide carboxylate, containing said carboxylate and impurities of the corresponding carboxylic acid and/or water, is treated with an aqueous solution of a base in order to obtain a pH of the aqueous phase ranging from 9.0 to 12.2 and/or a step in which the hydrocarbon solution containing lanthanide carboxylate is treated with a solid selected from Na 2 SO 4 , MgSO 4 , Mg(ClO 4 ) 2 , molecular sieves 3 Å, molecular sieves 4 Å, molecular sieves 5 Å and molecular sieves 13 X. Analytical methods are also described, which allow the purity of the lanthanide carboxylates to be non-destructively measured.

  本文描述了一种用于纯化镧系羧酸盐的过程，其中包括以下步骤：将合成镧系羧酸盐的烃溶液（包含所述羧酸盐和相应羧酸和/或水的杂质）处理成碱性水溶液，以获得水相pH值在9.0至12.2之间；或者将含有镧系羧酸盐的烃溶液处理成固体，所述固体选自Na2SO4、MgSO4、Mg(ClO4)2、分子筛3 Å、分子筛4 Å、分子筛5 Å和分子筛13 X。同时还描述了非破坏性测量镧系羧酸盐纯度的分析方法。
• Method of preparing alkoxylation catalysts and their use in alkoxylation processes
  申请人：Weerasooriya Peter Upali

  公开号：US20050240064A1

  公开（公告）日：2005-10-27

  A process for preparing an alkoxylation catalyst suitable for alkoxylating compounds that includes mixing a calcium-containing compound in a dispersing medium having a boiling point less that 160° C. with a carboxylic acid and an inorganic acid or anhydride.

  一种制备适用于烷氧基化化合物的烷氧基化催化剂的方法，包括将含钙化合物与羧酸和无机酸或酐混合于沸点低于160°C的分散介质中。
• Novel peptides as NS3-serine protease inhibitors of hepatitis C virus
  申请人：Saksena K. Anil

  公开号：US20070032433A1

  公开（公告）日：2007-02-08

  The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.

  本发明揭示了具有HCV蛋白酶抑制活性的新化合物，以及制备这些化合物的方法。在另一种实施方式中，本发明揭示了包含这些化合物的药物组合物，以及使用它们治疗与HCV蛋白酶相关的疾病的方法。
• 3-Carbamoyl-2-Pyridone Derivative
  申请人：Ishizuka Natsuki

  公开号：US20080103139A1

  公开（公告）日：2008-05-01

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 is optionally substituted C1-C8 alkyl and the like; R 2 is C1-C6 alkyl; R 3 is C1-C6 alkyl and the like; or R 2 and R 3 taken together with may form an optionally substituted 5 to 10 membered non-aromatic carbon ring; R 4 is hydrogen and the like; G is a group selected from the groups shown by the formula an the like: wherein R 5 is hydrogen and the like; X 1 is a single bond and the like; X 2 is optionally substituted C1-C8 alkylene that may be replaced by one or two groups of —O—, or —N(R 6 )—, wherein R 6 is hydrogen and the like, and the like; X 3 is a single bond and the like; a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的作用的化合物，其由式（I）表示：其中，R1是可选取的取代的C1-C8烷基等；R2是C1-C6烷基；R3是C1-C6烷基等；或R2和R3共同形成可选取代的5至10个成员的非芳香碳环；R4是氢等；G是由式等所示的基团中选取的基团：其中，R5是氢等；X1是单键等；X2是可选取代的C1-C8烷基，可以被一或两个-O-或-N（R6）-的基团替代，其中R6是氢等；X3是单键等；其药学上可接受的盐或其溶剂，以及制药组合物、治疗特应性皮炎的制剂和抗瘙痒剂，特别是口服和外用的抗瘙痒剂，每种制剂均以所述化合物为活性成分。