2-hydroxy-2-methylhexane-1,6-dioic acid | 128305-67-9

• 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-methylhexane-1,6-dioic acid
• 英文别名: 2-hydroxy-2-methyl-adipic acid；2-Hydroxy-2-methyl-adipinsaeure；2-Hydroxy-2-methyl-hexandisaeure；δ-Oxy-pentan-α.δ-dicarbonsaeure；α-Oxy-α-methyl-adipinsaeure；2-Methyl-hexanol-(2)-disaeure；2-Hydroxy-2-methylhexanedioic acid；2-hydroxy-2-methylhexanedioic acid
• CAS: 128305-67-9
• 化学式: C₇H₁₂O₅
• 分子量: 176.169
• InChiKey: NVJLQZVQKLCNRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-hydroxy-2-methylhexane-1,6-dioic acid 生成 5-己烯酸
  参考文献：
  名称：

  Linstead; Rydon, Journal of the Chemical Society, 1934, p. 1998

  摘要：

  DOI：
• 作为产物：
  描述：

  氢氰酸 、 5-氧代己酸 生成 2-hydroxy-2-methylhexane-1,6-dioic acid
  参考文献：
  名称：

  Linstead; Rydon, Journal of the Chemical Society, 1934, p. 1998

  摘要：

  DOI：

文献信息

• Reactions of hydrogen peroxide with acetylacetone and 2-acetylcyclopentanone
  作者：V. L. Novikov、O. P. Shestak

  DOI：10.1007/s11172-013-0316-6

  日期：2013.10

  A reaction of acetylacetone with equimolar amount of concentrated aqueous H2O2 in both organic solvents (ButOH, AcOH) and water at various temperatures gave the corresponding 3,5-dihydroxy-1,2-dioxolanes with different configuration of stereogenic centers. In the presence of an excess of H2O2, 3,5-dihydroxy-1,2-dioxolanes were converted to a mixture of 5-hydroperoxy-3-hydroxy-1,2-dioxolanes and further to a mixture of dimeric 1,2-dioxolan-3-ylperoxides. All the peroxides formed exist in solutions as equilibrium mixtures with the starting reagents. A prolonged reflux of solutions of 3,5-dihydroxy-1,2-dioxolanes in ButOH in the presence of a large excess of H2O2 led to the skeletal rearrangements of the substrates to a mixture of propionic acid and hydroxyacetone, which underwent further oxidative transformations. Unlike acetylacetone, 2-acetylcyclopentanone reacted with H2O2 in aqueous phase or in solutions in ButOH under thermodynamic or kinetic control with the formation of the corresponding 5-hydroperoxy-3-hydroxy-1,2-dioxolanes, rather than 3,5-dihydroxy-1,2-dioxolanes. Thermodynamically controlled process in solution in AcOH gave a mixture of all four possible hydroperoxyhydroxy-1,2-dioxolanes. These cyclic peroxides in solutions in ButOH or AcOH readily converted to a mixture of AcOH, glutaric, α-methyladipic, and α-hydroxy-α-methyladipic acids. An active α-hydroxylation of the substrate was observed upon reflux of a solution of 2-acetylcyclopentanone and H2O2 in AcOH.

  在不同温度下，乙酰丙酮与等摩尔量的浓过氧化氢水溶液在有机溶剂（丁醇、乙酸）和水中的反应，生成了相应的3,5-二羟基-1,2-二氧杂环戊烷，具有不同的立体中心构型。在过氧化氢过量的情况下，3,5-二羟基-1,2-二氧杂环戊烷转化为5-羟过氧基-3-羟基-1,2-二氧杂环戊烷的混合物，进而转化为二聚1,2-二氧杂环戊烷-3-基过氧化物的混合物。所有形成的过氧化物在溶液中以起始试剂的平衡混合物形式存在。在丁醇中3,5-二羟基-1,2-二氧杂环戊烷溶液长时间回流，并在大量过氧化氢存在下，底物发生骨架重排，生成丙酸和羟基丙酮的混合物，进一步经历氧化转化。与乙酰丙酮不同，2-乙酰基环戊酮在水相或丁醇溶液中与过氧化氢反应，在热力学或动力学控制下形成相应的5-羟过氧基-3-羟基-1,2-二氧杂环戊烷，而不是3,5-二羟基-1,2-二氧杂环戊烷。在乙酸溶液中受热力学控制的反应过程生成所有四种可能的羟过氧基羟基-1,2-二氧杂环戊烷的混合物。这些环状过氧化物在丁醇或乙酸溶液中容易转化为乙酸、戊二酸、α-甲基己二酸和α-羟基-α-甲基己二酸的混合物。在乙酸中2-乙酰基环戊酮与过氧化氢溶液回流时，观察到底物的α-羟基化反应活性。
• Process for producing an oxide catalyst for oxidation or ammoxidation
  申请人：——

  公开号：US20030017944A1

  公开（公告）日：2003-01-23

  Disclosed is a process for producing an oxide catalyst comprising, as component elements, molybdenum (Mo), vanadium (V), at least one element selected from the group consisting of the two elements of antimony (Sb) and tellurium (Te), and niobium (Nb), wherein the process comprises providing an aqueous raw material mixture containing compounds of the component elements of the oxide catalyst, and drying the aqueous raw material mixture, followed by calcination, and wherein, in the aqueous raw material mixture, at least a part of the niobium compound as one of the compounds of the component elements is present in the form of a complex thereof with a complexing agent comprising a compound having a hydroxyl group bonded to an oxygen atom or a carbon atom. Also disclosed is a process for producing (meth)acrylonitrile or (meth)acrylic acid, which comprises performing the ammoxidation or oxidation of propane or isobutane in the gaseous phase in the presence of the oxide catalyst.

  本发明公开了一种制备氧化物催化剂的方法，其包含以下组分元素：钼（Mo）、钒（V）、选自锑（Sb）和碲（Te）两种元素组成的群组中至少一种元素，以及铌（Nb）。该方法包括提供含有氧化物催化剂组分元素化合物的水性原料混合物，并使水性原料混合物干燥，随后进行焙烧。在水性原料混合物中，至少有一部分铌化合物作为组分元素之一以与具有羟基键合到氧原子或碳原子的络合剂的络合物形式存在。本发明还公开了一种制备（甲基）丙烯腈或（甲基）丙烯酸的方法，其包括在氧化物催化剂的存在下，在气相中进行丙烷或异丁烷的氨氧化或氧化。
• Fichter; Langguth, Chemische Berichte, 1897, vol. 30, p. 2052
  作者：Fichter、Langguth

  DOI：——

  日期：——
• US6610629B2
  申请人：——

  公开号：US6610629B2

  公开（公告）日：2003-08-26
• Linstead; Rydon, Journal of the Chemical Society, 1934, p. 1998
  作者：Linstead、Rydon

  DOI：——

  日期：——