3-hydroxy-3-methyl-nonanoic acid | 65790-85-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 3-hydroxy-3-methyl-nonanoic acid
• 英文别名: 3-Hydroxy-3-methyl-nonansaeure；3-Hydroxy-3-methyl-pelargonsaeure；3-hydroxy-3-methyl-n-nonanoic acid；3-Hydroxy-3-methyl-n-nonancarbonsaeure；3-hydroxy-3-methylnonanoic acid
• CAS: 65790-85-4
• 化学式: C₁₀H₂₀O₃
• 分子量: 188.267
• InChiKey: UBBZVQPPGAGCNC-UHFFFAOYSA-N

物化性质

• 熔点：
  34-36 °C
• 沸点：
  142-144 °C(Press: 1 Torr)
• 密度：
  1.013±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 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：

  3-hydroxy-3-methyl-nonanoic acid 在 盐酸 作用下， 生成 3-methyl-non-3-enoic acid
  参考文献：
  名称：

  Fieser et al., Journal of the American Chemical Society, 1948, vol. 70, p. 3209

  摘要：

  DOI：
• 作为产物：
  描述：

  在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 1.0h， 生成 3-hydroxy-3-methyl-nonanoic acid
  参考文献：
  名称：

  β-羟基异戊基紫草苷类似物的合成及抗肿瘤活性

  摘要：

  设计并合成了一系列新型的β-羟基异戊基紫草素类似物，这些类似物在紫草素的侧链羟基上带有含氧取代基。在体外评估了这些化合物对多药耐药（MDR）细胞DU-145和HeLa的细胞毒性。大多数化合物对两种细胞系均显示出显着的抑制活性。构效关系表明，带有醚取代基的类似物对DU-145表现出最强的抗肿瘤活性和选择性细胞毒性。在具有醚取代基的化合物中，增加带有β-羟基的碳中的空间位阻或用乙酰氧基或甲氧基代替β-羟基会导致细胞毒性下降。

  DOI：

  10.1016/j.ejmech.2011.05.065

文献信息

• Cyclic exo amides
  申请人：Beecham Group Limited

  公开号：US04119726A1

  公开（公告）日：1978-10-10

  Compounds of formula (I): ##STR1## wherein: M IS 0 OR 1; n is 4 to 8; X is CO, protected CO, CROH in which R is hydrogen or C.sub.1-4 alkyl and in which the OH moiety may be protected; R.sub.1 is hydrogen, or CO.sub.2 R.sub.1 represents an ester group in Which the R.sub.1 moiety contains 1 to 12 carbon atoms; R.sub.3 is hydroxy or protected hydroxy; R.sub.2 and R.sub.4 are separately hydrogen, C.sub.1-9 alkyl, C.sub.5-8 cycloalkyl, C.sub.5-8 cycloalkyl-C.sub.1-6 alkyl, phenyl, phenyl C.sub.1-6 alkyl, naphthyl, naphthyl C.sub.1-6 alkyl, any of which phenyl or naphthyl moieties may be substituted by one or more halogen, trifluoromethyl, C.sub.1-6 alkyl, C.sub.1-6 alkoxy or nitro groups, or R.sub.2 and R.sub.4 taken with the carbon atom to which they are joined represent C.sub.5-8 cycloalkyl; R.sub.5 is hydrogen, C.sub.1-4 alkyl or phenyl; and salts thereof; have useful pharmacological properties including anti-gastric secretion, bronchodilator and platelet aggregation inhibition activities.

  式(I)的化合物：其中：M为0或1；n为4至8；X为CO，保护的CO，CROH，其中R为氢或C.sub.1-4烷基，OH基团可能被保护；R.sub.1为氢，或CO.sub.2 R.sub.1代表一个酯基，其中R.sub.1基团含有1至12个碳原子；R.sub.3为羟基或保护的羟基；R.sub.2和R.sub.4分别为氢，C.sub.1-9烷基，C.sub.5-8环烷基，C.sub.5-8环烷基-C.sub.1-6烷基，苯基，苯基C.sub.1-6烷基，萘基，萘基C.sub.1-6烷基，其中苯基或萘基可能被一个或多个卤素，三氟甲基，C.sub.1-6烷基，C.sub.1-6烷氧基或硝基取代，或R.sub.2和R.sub.4与它们连接的碳原子一起代表C.sub.5-8环烷基；R.sub.5为氢，C.sub.1-4烷基或苯基；及其盐；具有有用的药理学特性，包括抗胃分泌、支气管扩张剂和抑制血小板聚集活性。
• Method for preparing optically active beta-butyrolactones
  申请人：Watanabe Shinya

  公开号：US20060046286A1

  公开（公告）日：2006-03-02

  The present invention is to provide a method for preparing easily and efficiently β-butyrolactones and/or optically active 3-hydroxycarboxylic acid derivatives in high optical purity by use of an easily available hydrolase, which are useful as intermediates for pharmaceuticals, agrochemicals and the like. More particularly, the present invention relates to a method for preparing β-butyrolactones and/or optically active 3-hydroxycarboxylic acid derivatives with an optical purity of substantially 100% ee, comprising reacting a β-butyrolactone which is a mixture of optical isomers, with a nucleophilic agent in the presence of a hydrolase, provided that a lipase derived from porcine pancreas is excluded.

  本发明提供了一种使用易得的水解酶高效制备β-丁内酯和/或高光学纯度的光学活性3-羟基羧酸衍生物的方法，这些衍生物作为制药、农药等中间体具有应用价值。更具体地说，本发明涉及一种制备β-丁内酯和/或光学活性3-羟基羧酸衍生物的方法，其光学纯度达到实质上100% ee，包括在水解酶的存在下，用亲核试剂反应混合光学异构体的β-丁内酯，但不包括来自猪胰脂肪酶的酶。
• Refrigerator oil composition
  申请人：IDEMITSU KOSAN COMPANY LIMITED

  公开号：EP0802254A1

  公开（公告）日：1997-10-22

  Disclosed is a refrigerator oil composition comprising at least one base oil selected from mineral oils and synthetic oils, and at least one hydroxy-fatty acid derivative selected from (A) hydroxy-fatty acids or their condensates, (B) metal salts or amine salts of hydroxy-fatty acids or their condensates, and (C) esters of hydroxy-fatty acids. The composition has an excellent lubricating property, while specifically improving the lubricity between aluminium materials and steel materials. This is effective for preventing such materials from being seized and worn, and is suitable as a lubricating oil in refrigerators using hydrogen-containing Flon refrigerants, such as R134a, that do not cause environmental pollution.

  本发明公开了一种冷冻机油组合物，该组合物包含至少一种选自矿物油和合成油的基础油，以及至少一种选自 (A) 羟基脂肪酸或其缩合物、(B) 羟基脂肪酸或其缩合物的金属盐或胺盐，以及 (C) 羟基脂肪酸酯的羟基脂肪酸衍生物。该组合物具有极佳的润滑性能，尤其能改善铝材料和钢材料之间的润滑性。这可有效防止此类材料卡死和磨损，适用于使用不会造成环境污染的含氢氟隆制冷剂（如 R134a）的冰箱的润滑油。
• Molecularly imprinted polymer for selectively trapping odorous molecules
  申请人：L'ORÉAL

  公开号：US10772823B2

  公开（公告）日：2020-09-15

  The invention relates to the use of molecularly imprinted polymer(s) or MIPs, of odorous molecule(s), as deodorant agent in particular for selectively trapping molecules that are the cause of human body odour. More particularly by using MIPs which may be obtained via polymerization, preferably via radical polymerization, of a mixture of: i) optionally one or more polymerization initiator(s); ii) one or more functional monomer(s); iii) one or more crosslinking agent(s); and iv) one or more porogenic solvent(s); it being understood that the polymerization a) or b) is performed in the presence v) of one or more “templates” of target molecule(s) responsible for human body odour. Another subject of the invention concerns a process for preparing MIPs as defined previously, MIPs obtained via this process, and a cosmetic composition comprising at least one MIP as defined previously. Unexpectedly, it appears that the MIPs make it possible to specifically trap precursors of odorous molecules and odorous molecules that may be used in cosmetic formulations, especially those that are the cause of the unpleasant odour of sweat.

  本发明涉及气味分子的分子印迹聚合物或 MIPs 作为除臭剂的用途，特别是用于选择性地捕获导致人体气味的分子。更具体地说，MIPs 可通过以下混合物的聚合（最好是自由基聚合）获得：i) 一种或多种聚合引发剂；ii) 一种或多种功能性单体；iii) 一种或多种交联剂；iv) 一种或多种致孔溶剂。本发明的另一个主题涉及前文定义的 MIP 制备工艺、通过该工艺获得的 MIP 以及包含至少一种前文定义的 MIP 的化妆品组合物。令人意想不到的是，MIPs 似乎可以专门捕获气味分子的前体和可用于化妆品配方的气味分子，特别是那些导致难闻汗味的分子。
• Electrostatic ink compositions and scratch-off structures
  申请人：HP Indigo B.V.

  公开号：US11112717B2

  公开（公告）日：2021-09-07

  Disclosed herein is an electrostatic ink composition comprising a component selected from a fatty acid ester having a plurality of hydroxyl substituents and a fatty acid amide having a plurality of hydroxyl substituents. Also described herein are scratch-off structures and methods for producing them.

  本文公开了一种静电油墨组合物，其成分选自具有多个羟基取代基的脂肪酸酯和具有多个羟基取代基的脂肪酸酰胺。本文还描述了刮擦结构及其生产方法。