2,4-二甲基己酸 | 70621-82-8

• 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: 2,4-二甲基己酸
• 英文名称: 2,4-dimethylhexanoic acid
• 英文别名: optically inactive 2,4-dimethyl-hexanoic acid；Opt.-inakt.2,4-Dimethyl-hexansaeure；(2RS,4S)-2,4-Dimethylhexansaeure
• CAS: 70621-82-8
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: GMWSHXONQKXRHS-UHFFFAOYSA-N

物化性质

• 沸点：
  228.91°C (estimate)
• 密度：
  0.9173 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  2,4-二甲基己酸 、 氯化亚砜 、 甲醇 在 甲醇 、 liquid 1 、 三溴甲烷 、 ester 、 δ(CDCl3) 、 1H 、 CH2CH3 、 3H 作用下， 33.0 ℃ 、13.51 MPa 条件下， 反应 16.0h， 以to give the title compound (216 mg), [α]19 +33° (liquid, 1=0.1 dm, d22 =0.871), lit1 [α]23 +D D 32.2° (liquid 1=0.2 dm), υmax (CHBr3) 1725 cm-1 (ester), δ(CDCl3) 3.67 (s, 3H, CO2CH3), 2.57 (m, 1H, CH2CHCH2), 1.33 and 1.13 (m, 1H each, CH2CH3), 1.16 (d, J7 Hz, 3H, C--2H3), 0.89 (d, J7 Hz, 3H, C--4CH3), 0.87 (t, J7 Hz, 3H, CH2CH3) lit2 (NMR spectrum)的产率得到Methyl 2,4-dimethylhexanoate
  参考文献：
  名称：

  Cyclic ketal derivatives

  摘要：

  本发明涉及一种Phoma sp. IMI 332962微生物或其突变体的生物纯培养物。

  公开号：

  US05278067A1
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydroxide 、 一水合肼 、 二乙二醇 作用下， 生成 2,4-二甲基己酸
  参考文献：
  名称：

  Stetter; Milbers, Chemische Berichte, 1958, vol. 91, p. 374,379

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2009133136A1

  公开（公告）日：2009-11-05

  The present invention relates to novel oxadiazole derivatives having pharmacological activity, processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of various disorders.

  这项发明涉及具有药理活性的新型噁二唑衍生物，其制备方法，含有它们的药物组合物以及它们在治疗各种疾病中的用途。
• 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。
• 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。
• Refrigeration lubricants
  申请人：JAPAN ENERGY CORPORATION

  公开号：EP0480479A2

  公开（公告）日：1992-04-15

  A lubricant comprising as a main component an ester (s) obtained by reacting (a) at least one polyvalent alcohol selected from the group consisting of pentaerythritol, dipentaerythritol and tripentaerythritol with (b) at least one straight chain or branched-chain monovalent saturated fatty acid having a carbon number of 2-18. This lubricant is used for compressors using a hydrofluorocarbon refrigerant containing no chlorine.

  一种润滑剂，其主要成分是由(a)至少一种选自季戊四醇、二季戊四醇和三季戊四醇的多价醇与(b)至少一种碳原子数为 2-18 的直链或支链单价饱和脂肪酸反应而得的酯。 这种润滑剂用于使用不含氯烃制冷剂的压缩机。
• ESTER COMPOUNDS AND LUBRICATING OIL COMPOSITION
  申请人：Kao Corporation

  公开号：EP0903335A1

  公开（公告）日：1999-03-24

  Ester compounds possessing heat stability in the presence of a metal and prepared from di- to nona- hydric hindered alcohols having 5 to 15 carbon atoms and saturated aliphatic monocarboxylic acids having 3 to 20 carbon atoms or derivatives thereof, characterized in that the proportion of the branched carboxylic acids or derivatives thereof in all the carboxylic acids or derivatives thereof is at least 50 % by mole and the ester compounds have a hydroxyl value of at most 30 mg KOH/g and an acid value after the sealed tube test of at most 10 mg KOH/g: and a lubricating oil composition characterized by containing at least 20 % by weight of the ester compounds. Thus the invention provides ester compounds possessing excellent heat stability in the presence of a metal, and a lubricating oil composition and a hydraulic fluid composition for refrigerators, each composed mainly of the ester compounds.

  在金属存在下具有热稳定性的酯类化合物，由具有 5 至 15 个碳原子的二水至非 水受阻醇和具有 3 至 20 个碳原子的饱和脂肪族一元羧酸或其衍生物制备、其特征在于支链羧酸或其衍生物在所有羧酸或其衍生物中所占比例至少为 50%（按摩尔计），且酯类化合物的羟值不超过 30 毫克 KOH/克，密封管测试后的酸值不超过 10 毫克 KOH/克：以及一种润滑油组合物，其特征是含有至少 20% （按重量计）的酯类化合物。因此，本发明提供了在金属存在下具有优异热稳定性的酯类化合物，以及主要由这些酯类化合物组成的用于冰箱的润滑油组合物和液压油组合物。