2,2-diethylpentanoic acid | 5303-38-8

• 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: 2,2-diethylpentanoic acid
• 英文别名: 2,2-Diethyl-2-propyl-essigsaeure；2,2-Diethyl-valeriansaeure；2,2-diethyl-valeric acid；2,2-Diaethyl-valeriansaeure
• CAS: 5303-38-8
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: PWCBTXBCAGUKGX-UHFFFAOYSA-N

物化性质

• 沸点：
  128 °C(Press: 29 Torr)
• 密度：
  0.921±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 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：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-diethylpentanoic acid 在 吡啶 、 氯化亚砜 、 4-吡咯烷基吡啶 作用下， 反应 290.0h， 生成 2,2-Diethyl-pentanoic acid (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-6-oxo-tetrahydro-pyran-2-yl]-ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester
  参考文献：
  名称：

  3-Hydroxy-3-methylglutaryl-coenzyme A reductase inhibitors. 4. Side-chain ester derivatives of mevinolin

  摘要：

  Modification of the 2(S)-methylbutyryl moiety of mevinolin led to a series of side chain ester derivatives. A systematic exploration of the structure-activity relationships showed that the introduction of an additional aliphatic group on the carbon alpha to the carbonyl group increased potency. This observation led to the synthesis of compound 16, which has about 2.5 times the intrinsic inhibitory activity of mevinolin.

  DOI：

  10.1021/jm00155a040
• 作为产物：
  描述：

  2-乙基丁腈 在 盐酸 、 亚硝酸丁酯 、 硫酸 、 sodium amide 、 溶剂黄146 、 甲苯 作用下， 生成 2,2-diethylpentanoic acid
  参考文献：
  名称：

  Murayama, Chemical and pharmaceutical bulletin, 1958, vol. 6, p. 186,190

  摘要：

  DOI：

文献信息

• Antidiabetic agents
  申请人：——

  公开号：US20030171377A1

  公开（公告）日：2003-09-11

  The present invention provides compounds of Formula (I): 1 wherein A, X, Q, Y, B, D, Z, and E have any of the values defined in the specification, and pharmaceutically acceptable salt thereof, that are useful as antidiabetic agents. Also disclosed are pharmaceutical compositions comprising one or more compounds of Formula I, processes for preparing compounds of Formula I, and intermediates useful for preparing compounds of Formula I.

  本发明提供了式(I)的化合物： 1 其中A、X、Q、Y、B、D、Z和E具有规范中定义的任何值，以及药用可接受的盐，这些化合物作为抗糖尿病药是有用的。还公开了包含一个或多个式I化合物的药物组合物，制备式I化合物的方法，以及用于制备式I化合物的中间体。
• USE OF SPECIFIC MENTHYL 3-OXOCARBOXYLIC ACID ESTERS AS PHYSIOLOGICALLY ACTIVE COOLING SUBSTANCES
  申请人：Schoening Axel

  公开号：US20080175800A1

  公开（公告）日：2008-07-24

  The use is described of a compound of the formula (I) or (ent-I) or a blend consisting of two, three or more compounds of the formula (I) or (ent-I) (a) as a cooling substance for non-therapeutic purposes or (b) for the production of a medicament, wherein in each of the formulae (I) and (ent-I) R1, R2, R3, R4 and R5 mutually independently in each case mean hydrogen or a linear, branched or cyclic, saturated or unsaturated hydrocarbon residue having 1 to 4 carbon atoms.

  使用描述了一种化合物的公式（I）或（ent-I）或由两种、三种或更多种化合物的公式（I）或（ent-I）（a）组成的混合物作为非治疗目的的冷却物质或（b）用于药物的生产，其中在每个公式（I）和（ent-I）中，R1、R2、R3、R4和R5在每种情况下相互独立地表示氢或具有1到4个碳原子的线性、支链或环状、饱和或不饱和的烃残基。
• Personal care products incorporating cellulosic fatty acid esters
  申请人：Shelton Charles Michael

  公开号：US20070053855A1

  公开（公告）日：2007-03-08

  Cellulose ester compounds and compositions that include such cellulose ester compounds dissolved in lipophilic solvents.

  纤维素酯化合物及包括这种纤维素酯化合物在亲脂溶剂中溶解的组合物。
• POLYESTER POLYOL RESINS COMPOSITIONS
  申请人：Momentive Specialty Chemicals Inc.

  公开号：US20140287252A1

  公开（公告）日：2014-09-25

  A composition of polyester polyol resins comprising a mixture of α,α-branched alkane carboxylic glycidyl esters derived from butene oligomers characterized in that the sum of the concentration of the blocked and of the highly branched isomers is maximum 55%, preferably below 40%, and most preferably below 30% weight on total composition.

  一种聚酯聚醇树脂组成物，包括由丁烯寡聚物衍生的α，α-支链烷基羧酸甘氧基酯混合物，其特征在于阻断和高度支化异构体的浓度之和最大为55％，最好低于40％，最好低于总组成物重量的30％。
• GLYCIDYL ESTERS OF ALPHA, ALPHA BRANCHED NEONONANOIC ACIDS, SYNTHESIS AND USES
  申请人：Le Fevere de Ten Hove Cédric

  公开号：US20140316030A1

  公开（公告）日：2014-10-23

  The invention relates to a manufacturing process for the preparation of α,α-branched alkane carboxylic acids providing glycidyl esters with an improved softness or hardness of the coatings derived thereof. In which the mixture of neononanoic acid providing a high hardness is a mixture where the sum of the concentration of the blocked and of the highly branched isomers is at least 50%, preferably above 60% and most preferably above 75%. In which a mixture of neononanoic acids providing soft polymers is a mixture where the concentration of blocked and highly branched isomers is maximum 55%, preferably below 40% and most preferably below 30%.

  本发明涉及一种制备α，α-支链烷基羧酸的制造工艺，从而提供具有改善软硬度的其衍生物涂层的环氧树脂酯。其中，提供高硬度的正壬酸混合物是一种混合物，其中被阻断和高度支链异构体的浓度之和至少为50％，最好在60％以上，最好在75％以上。提供软聚合物的正壬酸混合物是一种混合物，其中被阻断和高度支链异构体的浓度最大为55％，最好低于40％，最好低于30％。