6-hydroxy-4-methylhexanoic acid | 56493-06-2

• 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: 6-hydroxy-4-methylhexanoic acid
• 英文别名: γ-methyl-ε-hydroxycaproic acid
• CAS: 56493-06-2
• 化学式: C₇H₁₄O₃
• mdl: MFCD19229662
• 分子量: 146.186
• InChiKey: MSWBISKOQFARTB-UHFFFAOYSA-N

物化性质

• 沸点：
  276.8±23.0 °C(Predicted)
• 密度：
  1.070±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  5
• 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：

  6-hydroxy-4-methylhexanoic acid 生成 2,3-二甲基-2-环戊烯酮 、 3-乙基环戊-2-烯-1-酮
  参考文献：
  名称：

  Process for preparing cyclopentenone derivatives

  摘要：

  一种通过在固体酸催化剂存在下加热具有一个取代基或其分子内酯的C.sub.5到C.sub.13脂肪酸，以高产率制备环戊烯酮衍生物的新型工业过程。

  公开号：

  US03953514A1

文献信息

• Enantioselective Baeyer–Villiger Oxidation: Desymmetrization of Meso Cyclic Ketones and Kinetic Resolution of Racemic 2-Arylcyclohexanones
  作者：Lin Zhou、Xiaohua Liu、Jie Ji、Yuheng Zhang、Xiaolei Hu、Lili Lin、Xiaoming Feng

  DOI：10.1021/ja309262f

  日期：2012.10.17

  N'-dioxide-Sc(III) complex catalysts. The BV oxidations of prochiral cyclohexanones and cyclobutanones afforded series of optically active ε- and γ-lactones, respectively, in up to 99% yield and 95% ee. Meanwhile, the kinetic resolution of racemic 2-arylcyclohexanones was also realized via an abnormal BV oxidation. Enantioenriched 3-aryloxepan-2-ones, whose formation is counter to the migratory aptitude, were

  在手性 N,N'-二氧化物-Sc(III) 配合物催化剂存在下，实现了外消旋和内消旋环酮的催化对映选择性 Baeyer-Villiger (BV) 氧化。前手性环己酮和环丁酮的 BV 氧化分别提供了一系列具有光学活性的 ε- 和 γ-内酯，产率高达 99%，ee 高达 95%。同时，外消旋 2-芳基环己酮的动力学拆分也是通过异常 BV 氧化实现的。Enantioenriched 3-aryloxepan-2-ones，其形成与迁移能力相反，被优先获得。内酯和未反应的酮均具有高 ee 值。
• POLY(HYDROXYALKANOIC ACID) PLASTICIZED WITH POLY(TRIMETHYLENE ETHER) GLYCOL
  申请人：Uradnisheck Julius

  公开号：US20110071258A1

  公开（公告）日：2011-03-24

  Toughened, plasticized poly(hydroxyalkanoic acid) polymer compositions comprising poly(trimethylene ether) glycol and ethylene ester copolymers are provided.

  提供了由聚（羟基脂肪酸）塑化的强化聚合物组成物，其中包括聚（三亚甲基醚）乙二醇和乙烯酯共聚物。
• Chemical process to manufacture branched-caprolactone
  申请人：Regents of the University of Minnesota

  公开号：US11208394B2

  公开（公告）日：2021-12-28

  Synthesizing an alkyl-caprolactone includes hydrogenating an alkyl-phenol to yield a first mixture comprising an alkyl-cyclohexanone and an alkyl-cyclohexanol; separating the alkyl-cyclohexanone from the first mixture to yield a first portion of a purified alkyl-cyclohexanone; oxidizing the first portion of the purified alkyl-cyclohexanone to yield a second mixture comprising an alkyl-caprolactone, the alkyl-cyclohexanone, and the alkyl-cyclohexanol; separating the alkyl-caprolactone from the second mixture to yield a third mixture comprising the alkyl-cyclohexanone and the alkyl-cyclohexanol; combining the third mixture and the first mixture in to yield a fourth mixture; separating the alkyl-cyclohexanone from the fourth mixture to yield a second portion of the purified alkyl-cyclohexanone; oxidizing the second portion of the purified alkyl-cyclohexanone to yield a fifth mixture comprising the alkyl-caprolactone, the alkyl-cyclohexanone, and the alkyl-cyclohexanol; separating the alkyl-caprolactone from the fifth mixture; and combining the alkyl-caprolactone from the fifth mixture with the alkyl-caprolactone from the second mixture.

  合成烷基己内酯包括氢化烷基酚，得到由烷基环己酮和烷基环己醇组成的第一混合物；从第一混合物中分离烷基环己酮，得到纯化的烷基环己酮的第一部分；氧化纯化的烷基-环己酮的第一部分，得到包含烷基己内酯、烷基-环己酮和烷基-环己醇的第二混合物；从第二混合物中分离烷基己内酯，得到包含烷基-环己酮和烷基-环己醇的第三混合物；将第三种混合物和第一种混合物混合，得到第四种混合物； 从第四种混合物中分离出烷基环己酮，得到第二部分纯化的烷基环己酮；氧化纯化的烷基环己酮的第二部分，得到包含烷基己内酯、烷基环己酮和烷基环己醇的第五种混合物；从第五种混合物中分离出烷基己内酯；将第五种混合物中的烷基己内酯与第二种混合物中的烷基己内酯混合。
• Toughened poly(lactic acid) compositions
  申请人：Flexman Arthur Edmund

  公开号：US20050131120A1

  公开（公告）日：2005-06-16

  Toughened poly(lactic acid) resin compositions comprising poly(lactic acid) and an impact modifier comprising an ethylene copolymer made from monomers (a) ethylene; (b) one or more olefins of the formula CH 2 ═C(R 1 )CO 2 R 2 , where R 1 is hydrogen or an alkyl group with 2-8 carbon atoms and R 2 is an alkyl group with 1-8 carbon atoms, such as methyl, ethyl, or butyl; and (c) one or more olefins of the formula CH 2 ═C(R 3 )CO 2 R 4 , where R 3 is hydrogen or an alkyl group with 1-6 carbon atoms, such as methyl, and R 4 is glycidyl. The ethylene copolymer may further be made from carbon monoxide monomers. The compositions may further comprise one or more ethylene/acrylate and/or ethylene/vinyl ester polymers, ionomers, and cationic grafting agents.

  增韧聚（乳酸）树脂组合物，包含聚（乳酸）和抗冲改性剂，抗冲改性剂包含乙烯共聚物，乙烯共聚物由单体(a)乙烯；(b)一种或多种烯烃（式 CH 2 ═C(R 1 ) CO 2 R 2 其中 R 1 是氢或含有 2-8 个碳原子的烷基，R 2 是具有 1-8 个碳原子的烷基，如甲基、乙基或丁基；以及 (c) 一种或多种烯烃，其式为 CH 2 ═C(R 3 ) CO 2 R 4 其中 R 3 是氢或含有 1-6 个碳原子的烷基，如甲基，以及 R 4 是缩水甘油。乙烯共聚物可进一步由一氧化碳单体制成。组合物还可进一步包含一种或多种乙烯/丙烯酸酯和/或乙烯/乙烯酯聚合物、离子聚合物和阳离子接枝剂。
• Preparation of methyl ketones by the sequential treatment of carboxylic acids with methyllithium and chlorotrimethylsilane
  作者：George M. Rubottom、Chongwan Kim

  DOI：10.1021/jo00157a038

  日期：1983.5