ethyl 2,4-dimethylpentanoate | 172103-12-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 2,4-dimethylpentanoate
• CAS: 172103-12-7
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: GJIQVHTXXRSNMD-UHFFFAOYSA-N

物化性质

• 沸点：
  164 °C
• 密度：
  0.855 g/cm3(Temp: 28 °C)
• 溶解度：
  溶于DCM、乙酸乙酯、己烷、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  ethyl 2,4-dimethylpentanoate 在 氢氧化钾 、 sodium azide 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 二甲基亚砜 为溶剂， 反应 1.17h， 生成 2-azido-2,4-dimethylpentanoic acid
  参考文献：
  名称：

  Synthesis and Enzymatic Resolution of C^α-Dialkylated α-Azido Carbox­amides: New Enantiopure α-Azido Acids as Building Blocks in Peptide Synthesis­

  摘要：

  α-叠氮羧酸最近被提出作为多功能的N保护等同物，适用于α-氨基酸，尤其在需要引入立体障碍的Cα-二烷基化α-氨基酸时极为宝贵。通过对α-叠氮羧酰胺的酶促分离，可以获得不对称取代的Cα-二烷基化α-叠氮羧酸的对映纯形式。来自Ochrobactrum anthropi NCIMB 40321的l-酰胺酶以2-叠氮-2,4-二甲基戊酰胺为底物，分别提供对应的S构型α-叠氮羧酸和R构型α-叠氮羧酰胺，且具有优异的对映体纯度。这前者是合成α-甲基亮氨酸[(α-Me)Leu]在肽合成中的有价值合成前体，成功合成了含有(α-Me)Leu的efrapeptin C类似物。

  DOI：

  10.1055/s-2004-834947
• 作为产物：
  描述：

  ethyl 2,4-dimethyl-4-pentenoate 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以86%的产率得到ethyl 2,4-dimethylpentanoate
  参考文献：
  名称：

  Neutral compounds from male castoreum of North American beaver,Castor canadensis

  摘要：

  North American beavers (Casio, canadensis) mark their territories with castoreum, the strong-smelling paste in their castor sacs. In their own territories, beavers respond with scent marking to experimental scent marks that consist of strange castoreum (or selected components). In part, the unique odor of castoreum is due to large amounts of phenolic compounds rind neutral compounds. Purifed neutral compounds were analyzed by GC, GC-MS, and NMR; identities of the neutral compounds were confirmed by comparing the properties of authentic compounds with those of the isolated compounds. We identified 13 neutral compounds that had not been reported before for castoreum. Most of these are oxygen-containing monoterpenes, Of the nine neutral compounds reported by Lederer (1949), only three are confirmed in our analysis; the other six neutral compounds are either absent or are not volatile enough to be detected by our methods. Eight compounds-6-methyl-1-heptanol, 4,6-dimethyl-1-heptanol, isopinocamphone, pinocamphone, two linalool oxides, and their acetates-were synthesized for structure identification and bioassays.

  DOI：

  10.1007/bf02033674

文献信息

• HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150245616A1

  公开（公告）日：2015-09-03

  Herbicidally and fungicidally active 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides of the formula (I) are described. In this formula (I), X, X 2 to X 6 , R 1 to R 4 are radicals such as hydrogen, halogen and organic radicals such as substituted alkyl. A is a bond or a divalent unit. Y is a chalcogen.

  具有除草和杀菌活性的5-氧代取代的3-苯基异噁唑啉-5-羧酰胺和5-氧代取代的3-苯基异噁唑啉-5-硫酰胺的化合物如下式（I）所述。 在这个式子（I）中，X，X2至X6，R1至R4是氢、卤素和有机基团，如取代烷基等。A是一个键或二价基团。Y是硫族元素。
• [EN] MICROBIOCIDAL QUINOLINE (THIO)CARBOXAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS MICROBIOCIDES DE QUINOLINE (THIO)CARBOXAMIDE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2019053015A1

  公开（公告）日：2019-03-21

  Compounds of the formula (I) wherein the subsitiuents are as defined in claim 1. Furthermore, the present invention relates to agrochemical compositions which comprise compounds of formula (I), to preparation of these compositions, and to the use of the compounds or compositions in agriculture or horticulture for combating, preventing or controlling infestation of plants, harvested food crops, seeds or non-living materials by phytopathogenic microorganisms, in particular fungi.

  式(I)中的化合物，其中取代基如权利要求1所定义。此外，本发明涉及包含式(I)化合物的农药组合物，制备这些组合物以及在农业或园艺中使用这些化合物或组合物来对抗、预防或控制植物、收获的农作物、种子或非生物材料受植物病原微生物，特别是真菌的侵害。
• NOVEL REVAMIPIDE PRODRUGS, PREPARATION METHOD AND USE THEREOF
  申请人：SAMJIN PHARMACEUTICAL CO., LTD.

  公开号：US20150141409A1

  公开（公告）日：2015-05-21

  Disclosed are a novel rebamipide prodrug, a method for preparing the same, and use thereof. Also, a pharmaceutical composition comprising the novel rebamipide prodrug as an active ingredient is provided. The rebamipide prodrug is increased 25-fold in absorption rate compared to rebamipide itself, and can be applied to the prophylaxis or therapy of gastric ulcer, acute gastritis, chronic gastritis, xerophthalmia, cancer, osteoarthritis, rheumatoid arthritis, or obesity.

  揭示了一种新型的雷巴米特前药，以及其制备方法和用途。此外，提供了一种含有该新型雷巴米特前药作为活性成分的药物组合物。与雷巴米特本身相比，雷巴米特前药的吸收速率增加了25倍，可用于预防或治疗胃溃疡、急性胃炎、慢性胃炎、干眼症、癌症、骨关节炎、类风湿性关节炎或肥胖症。
• [EN] MICROBIOCIDAL QUINOLINE (THIO)CARBOXAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS MICROBIOCIDES DE QUINOLÉINE (THIO)CARBOXAMIDE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2018172133A1

  公开（公告）日：2018-09-27

  Compounds of formula (I), wherein the subsitiuents are as defined in claim 1. Furthermore, the present invention relates to agrochemical compositions which comprise compounds of formula (I), to preparation of these compositions, and to the use of the compounds or compositions in agriculture or horticulture for combating, preventing or controlling infestation of plants, harvested food crops, seeds or non-living materials by phytopathogenic microorganisms, in particular fungi.

  式（I）化合物，其中取代基如权利要求1所定义。此外，本发明涉及包括式（I）化合物的农药组合物，制备这些组合物的方法，以及在农业或园艺中使用这些化合物或组合物来对抗、预防或控制植物、收获食物作物、种子或非生物材料受植物病原微生物，特别是真菌的侵害。
• [EN] FUNGICIDAL COMPOSITIONS<br/>[FR] COMPOSITIONS FONGICIDES
  申请人：SYNGENTA CROP PROTECTION AG

  公开号：WO2020064696A1

  公开（公告）日：2020-04-02

  A fungicidal composition comprising a mixture of components (A) and (B), wherein component (A) is a 8-fluoroquinoline-3-carboxamide of formula I and component (B) is selected from the group consisting of pydiflumetofen, benzovindiflupyr, difenoconazole, hexaconazole, azoxystrobin, fludioxonil, cyprodinil, fluazinam, isopyrazam, pyroquilon, tricyclazole, chlorothalonil, propiconazole, aminopyrifen, penconazole, prothioconazole, mancozeb, fenproprimorph, fenpropidin, sulphur and Bacillus subtilis strains, as well as to the use of the compositions in agriculture or horticulture for controlling or preventing infestation of plants by phytopathogenic microorganisms, preferably, fungi.

  一种杀菌组合物，包括成分(A)和(B)的混合物，其中成分(A)是式I的8-氟喹诺酮-3-羧酰胺，成分(B)选自吡啶氟菌酯、苯唑苯酮、二噁唑酮、己唑酮、阿托霉素、氟庚磺酰胺、环菌环酮、氟吡唑酰胺、异吡唑酰胺、吡喹酮、三环唑、氯硝季醇、丙环唑、氨基吡啶、苯康唑、丙硫康唑、锰锌、硫和枯草芽孢杆菌菌株组成，以及将该组合物用于农业或园艺中控制或预防植物受植物病原微生物（最好是真菌）侵害的用途。