2-hydroxy-2-methyloctanoic acid | 58908-23-9

• 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-hydroxy-2-methyloctanoic acid
• 英文别名: (+/-)-2-Hydroxy-2-methyl-octansaeure；2-Hydroxy-2-methyl-caprylsaeure；Methylhexylglykolsaure
• CAS: 58908-23-9
• 化学式: C₉H₁₈O₃
• 分子量: 174.24
• InChiKey: QYOCUAIWQDTFOK-UHFFFAOYSA-N

物化性质

• 熔点：
  36 °C
• 沸点：
  296.9±13.0 °C(Predicted)
• 密度：
  1.029±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-hydroxy-2-methyloctanoic acid 、 乙酰氯 生成 α-Acetoxy-α-methyloctansaeurechlorid
  参考文献：
  名称：

  Ruechardt,C. et al., Chemische Berichte, 1975, vol. 108, p. 3210 - 3223

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基庚烷-1-醛 在 哌啶 、 盐酸 作用下， 生成 2-hydroxy-2-methyloctanoic acid
  参考文献：
  名称：

  5,5-Dialkyl-2,4-oxazolidinediones^1,2

  摘要：

  DOI：

  10.1021/ja01854a019

文献信息

• Phenylglycine Methyl Ester, a Useful Tool for Absolute Configuration Determination of Various Chiral Carboxylic Acids
  作者：Tetsuya Yabuuchi、Takenori Kusumi

  DOI：10.1021/jo991218a

  日期：2000.1.1

  A new chiral anisotropic reagent, phenylglycine methyl ester (PGME), developed for the elucidation of the absolute configuration of chiral alpha,alpha-disubstituted acetic acids, has turned out to be applicable to other substituted carboxylic acids, such as chiral alpha-hydroxy-, alpha-alkoxy-, and alpha-acyloxy-alpha, alpha-disubstituted acetic acids, as well as to chiral beta, beta-disubstituted

  为了阐明手性α，α-二取代乙酸的绝对构型而开发的一种新的手性各向异性试剂苯甘氨酸甲酯（PGME）已证明可用于其他取代的羧酸，例如手性α-羟基- ，α-烷氧基-和α-酰氧基-α，α-二取代的乙酸，以及手性β，β-二取代的丙酸。由于羧基部分可从其他官能团转化而来，例如烯烃的臭氧分解和二醇的氧化裂解，因此，本发现可将PGME方法的用途扩展到各种类型有机化合物的绝对构型测定，甚至那些最初缺乏氧气功能。描述了化学反应和PGME方法结合的几个例子。
• [EN] N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE<br/>[FR] N-(PYRID-4-YL)AMIDES ET N-(PYRIMIDIN-4-YL)AMIDES ET LEUR UTILISATION PHARMACEUTIQUE ET COSMÉTIQUE
  申请人：GALDERMA RES & DEV

  公开号：WO2013064681A1

  公开（公告）日：2013-05-10

  The present invention relates generally to the field of pharmaceuticals and cosmetics. More specifically, the present invention pertains to certain N-(pyrid-4-yl)amides and N-(pyrimidin-4-yl)amides of formula (1) which are potent modulators (e.g., inhibitors) of an androgen receptor, and which are useful, for example, in therapy, for example, in the treatment of a dermatological disease or disorder; a disease or disorder of the sebaceous gland(s); acne; hyperseborrhoea; oily skin; seborrhoeic dermatitis; hyperpilosity or hirsutism; atopic dermatitis; or androgenic alopecia; especially acne. The present invention also relates to compositions (e.g., pharmaceutical compositions, cosmetic compositions) comprising the compounds; methods of preparing the compositions; methods of modulating (e.g., inhibiting) an androgen receptor using the compounds and/or compositions; and medical and/or cosmetic use of the compounds and compositions.

  本发明一般涉及制药和化妆品领域。更具体地，本发明涉及某些式（1）的N-(吡啶-4-基)酰胺和N-(嘧啶-4-基)酰胺，这些化合物是雄激素受体的有效调节剂（例如，抑制剂），在治疗中很有用，例如，在治疗皮肤病或紊乱；皮脂腺的疾病或紊乱；痤疮；皮脂过多；油性皮肤；脂溢性皮炎；多毛症或多毛症；特应性皮炎；或雄激素性脱发；尤其是痤疮。本发明还涉及包含这些化合物的组合物（例如，制药组合物，化妆品组合物）；制备这些组合物的方法；使用这些化合物和/或组合物调节（例如，抑制）雄激素受体的方法；以及这些化合物和组合物的医学和/或化妆用途。
• A Convenient One-Pot Synthesis of Quaternary .ALPHA.-Methoxy- and .ALPHA.-Hydroxycarboxylic Acids.
  作者：Tetsuya YABUUCHI、Takenori KUSUMI

  DOI：10.1248/cpb.47.684

  日期：——

  Several α-methoxy- and α-hydroxycarboxylic acids have been synthesized by a new one-pot synthesis using ketones, tribromomethane, and potassium hydroxide in methanol and water, respectively, in good yields.

  通过一种新型的一锅法合成，使用了酮、三溴甲烷和氢氧化钾分别在甲醇和水中的条件下，成功合成了数种α-甲氧基和α-羟基羧酸，产率良好。
• Compositions for topical application to skin, hair and nails
  申请人：UNILEVER PLC

  公开号：EP0711558A1

  公开（公告）日：1996-05-15

  Compositions for treating skin, hair and nails which contain 25-hydroxycalciferol in combination with a lipid ingredient. The compositions avoid the toxic effects of 1,25-dihydroxycalciferol, yet attain keratinocyte differentiation and provide additional benefits. Also disclosed is a method of improving or preventing the appearance of wrinkled, flaky, aged, photodamaged skin by applying to skin a composition containing in a cosmetically acceptable vehicle 25-hydroxycalciferol and a lipid ingredient.

  含有25-羟基维生素D与脂质成分的用于治疗皮肤、头发和指甲的组合物。这些组合物避免了1,25-二羟基维生素D的毒性效应，同时实现了角质细胞分化并提供了额外的好处。还公开了一种通过在皮肤上涂抹含有25-羟基维生素D和脂质成分的化妆品可接受载体组合物来改善或预防出现皱纹、脱皮、老化、光损伤皮肤的方法。
• COMPOSITIONS COMPRISING POLYMERS PREPARED FROM 2-HYDROXYALKYL ACIDS
  申请人：Moeller Michael

  公开号：US20130131190A1

  公开（公告）日：2013-05-23

  Described herein are compositions comprising polymers prepared by melt polycondensation of 2-hydroxyalkyl acids. Methods of making and using the compositions are also disclosed.

  本文描述了由2-羟基烷基酸熔融缩聚制备的聚合物组成物。还公开了制备和使用该组成物的方法。