2-dydroxy-2-methylhexanoic acid | 70908-63-3

• 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-dydroxy-2-methylhexanoic acid
• 英文别名: 2-hydroxy-2-methyl-hexanoic acid；2-Hydroxy-2-methyl-capronsaeure；2-Hydroxy-2-methyl-hexansaeure；C-Methyl-C-butyl-glykolsaeure；(+)S-2-hydroxy-2-methyl-hexanoic acid；2-Hydroxy-2-methylhexanoic acid
• CAS: 70908-63-3
• 化学式: C₇H₁₄O₃
• mdl: MFCD19228437
• 分子量: 146.186
• InChiKey: HNQAXDPWMQIKEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 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-dydroxy-2-methylhexanoic acid 在 硫酸 作用下， 生成 2-己烯酸,2-甲基-,甲基酯,(2E)-
  参考文献：
  名称：

  BRANCHED-CHAIN FATTY ACIDS. XXXI. ASSIGNMENT OF GEOMETRIC CONFIGURATION IN THE 2-METHYL-2-ALKENOIC ACIDS¹

  摘要：

  DOI：

  10.1021/jo01377a012
• 作为产物：
  描述：

  2-己酮 在 哌啶 作用下， 生成 2-dydroxy-2-methylhexanoic 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。
• SEPARATION OF ORGANIC ACIDS FROM MIXTURES CONTAINING AMMONIUM SALTS OF ORGANIC ACIDS
  申请人：LALI Arvind Mallinath

  公开号：US20180162797A1

  公开（公告）日：2018-06-14

  The invention relates to a process for separation of organic acids from mixture of ammonium salts of one or more organic acids and other compounds via an integrated process. The process involves suspending mixture of ammonium salts of one or more organic acids and other compounds in dry hydrocarbon solvent/s or mixtures thereof; wherein the selected hydrocarbon solvent/s or mixtures thereof have boiling point more than 100° C. and forms an azeotrope with water. The reaction mixture thus obtained is dehydrated azeotropically followed by esterification of basic salt of the organic acids by addition of alcohol in presence of metal or metal salt; thereafter the individual esters formed are separated by distillation and hydrolysed to obtain corresponding organic acids having more than 98% purity.

  该发明涉及一种从一种或多种有机酸的铵盐混合物和其他化合物中分离有机酸的过程，通过集成过程实现。该过程涉及将一种或多种有机酸的铵盐混合物和其他化合物悬浮在干烃溶剂或其混合物中；所选的烃溶剂或其混合物的沸点高于100°C，并与水形成共沸物。因此得到的反应混合物通过共沸脱水处理，随后通过在金属或金属盐存在下加入醇对有机酸的碱性盐进行酯化；然后通过蒸馏分离形成的各个酯，并水解以获得纯度超过98%的相应有机酸。
• [EN] LACTATE PRODUCTION PROCESS<br/>[FR] PROCÉDÉ DE PRODUCTION DE LACTATE
  申请人：PLAXICA LTD

  公开号：WO2014045036A1

  公开（公告）日：2014-03-27

  A process for producing a compound of formula (I) is provided. The process comprises reacting a mixture comprising a compound of formula (IIA) and a compound of formula (IIB) with an alkyl alcohol in the presence of a Candida antarctica lipase B enzyme to produce a product comprising the compound of formula (I) and the compound of formula (IIB); wherein R1 is C1 to C6 alkyl; and wherein R2 is H or C1 to C12 alkyl. Also provided are processes for the production of R-lactic acid, oligomeric R-lactic acid, R,R-lactide, poly-R-lactic acid, alkyl S-lactate, S-lactic acid, oligomeric S-lactic acid, S,S-lactide, poly S-lactic acid and stereocomplex polylactic acid.

  提供一种制备化合物(I)的方法。该方法包括在存在Candida antarctica脂肪酶B酶的情况下，通过反应含有化合物(IIA)和化合物(IIB)的混合物与烷基醇来制备含有化合物(I)和化合物(IIB)的产物；其中R1为C1至C6烷基；R2为H或C1至C12烷基。还提供了生产R-乳酸、寡聚R-乳酸、R,R-内酯、聚R-乳酸、烷基S-乳酸、S-乳酸、寡聚S-乳酸、S,S-内酯、聚S-乳酸和立体复合聚乳酸的方法。