2,2,7,7-tetramethyloctanedioic acid | 16386-99-5

• 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: 2,2,7,7-tetramethyloctanedioic acid
• 英文别名: α,α,α',α'-Tetramethylsuberinsaeure
• CAS: 16386-99-5
• 化学式: C₁₂H₂₂O₄
• 分子量: 230.304
• InChiKey: HTGDDXZLPDBWRI-UHFFFAOYSA-N

物化性质

• 熔点：
  179-181 °C
• 沸点：
  378.2±25.0 °C(Predicted)
• 密度：
  1.066±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2,7,7-tetramethyloctanedioic acid 在 sodium azide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Conformational Control in the Cyclization of Hydrogen-Bonded Supramolecular Polymers

  摘要：

  Bifunctional 2-ureido-4[1H]-pyrimidinone (UPy) derivatives can form small cyclic oligomers as well as long supramolecular polymers in chloroform solutions using the quadruple hydrogen-bonding motif. Ring-chain equilibria of a set of supramolecular monomers containing methyl-substituted alkyl linkers between the hydrogen-bonding UPy moieties were investigated by H-1 NMR spectroscopy and viscometry. The data were characterized in terms of critical concentration (CC, denoting the onset of polymerization) and equilibrium cyclic dimer concentration (EDC, representing preorganization of the monomer toward selective formation of cyclic dimer), Methyl substituents in the monomer were found to promote conformations favorable for cyclic dimerization, leading to an increase in both the EDC and the CC with respect to unsubstituted monomer. Furthermore, we observed an odd-even effect in the CC and EDC with increasing length of the linker between the hydrogen-bonding units. The combined results allow tuning of the critical concentration over a broad range and offer detailed information on the correlation between monomer structure, conformation, and polymerizability which may provide new insights for the study and design of other ring-chain equilibria or helix-random coil transitions.

  DOI：

  10.1021/ja039408x
• 作为产物：
  描述：

  2,2-二甲基戊二酸 生成 2,2,7,7-tetramethyloctanedioic acid
  参考文献：
  名称：

  Cauquis,G.; Haemmerle,B., Bulletin de la Societe Chimique de France, 1970, p. 184 - 189

  摘要：

  DOI：

文献信息

• [EN] PRODRUGS OF MYELOPEROXIDASE INHIBITORS<br/>[FR] PROMÉDICAMENTS D'INHIBITEURS DE LA MYÉLOPEROXYDASE
  申请人：BIOHAVEN THERAPEUTICS LTD

  公开号：WO2021072140A1

  公开（公告）日：2021-04-15

  Disclosed are prodrugs of myeloperoxidase (MPO) inhibitors, methods of treating MPO related disorders, e.g., multiple system atrophy, amyotrophic lateral sclerosis, and Huntingtons disease, and methods of neuroprotection, which include administering to a patient in need thereof the prodrugs, pharmaceutical compositions including the prodrugs, and kits including the pharmaceutical compositions and instructions for use.

  揭示了髓过氧化物酶（MPO）抑制剂的前药，治疗MPO相关疾病的方法，例如多系统萎缩症、肌萎缩侧索硬化和亨廷顿病，以及神经保护方法，包括向需要的患者施用前药，包括前药的药物组合物，以及包括药物组合物和使用说明的工具包。
• GEMCABENE, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR
  申请人：GEMPHIRE THERAPEUTICS INC.

  公开号：US20180297929A1

  公开（公告）日：2018-10-18

  This present invention provides gemcabene pharmaceutically acceptable salts having a PSD90 of 35 μm to about 90 μm, methods for purifying crude gemcabene, pharmaceutically acceptable salts of purified gemcabene, pharmaceutical compositions of a gemcabene pharmaceutically acceptable salt and therapeutic and prophylactic methods useful for various conditions, including dyslipidemia.

  这项发明提供了具有35μm至约90μm的PSD90的gemcabene药用可接受盐，用于纯化粗制gemcabene的方法，纯化后的gemcabene的药用可接受盐，gemcabene药用可接受盐���药物组合物，以及用于治疗和预防各种疾病的治疗和预防方法，包括脂质代谢异常。
• Electrolyte for electrolytic capacitor and electrolytic capacitor using the same
  申请人：MITSUBISHI PETROCHEMICAL CO., LTD.

  公开号：EP0501439A1

  公开（公告）日：1992-09-02

  Disclosed are an electrolyte for an electrolytic capacitor which comprises a salt of a tertiary dicarboxylic acid represented by the following formula (I) or (II):    wherein n represents an integer of 1 to 5, and R¹ to R⁴ each represents an alkyl group having 4 or less carbon atoms,    wherein n has the same meaning as defined above, ℓ and m each represents an integer of 4 or 5, and R⁵ and R⁶ each represents hydrogen atom, methyl group or ethyl group, and an electrolytic capacitor using the same.

  本发明公开了一种用于电解电容器的电解液，该电解液由下式 (I) 或 (II) 所代表的叔二羧酸盐组成： 其中 n 代表 1 至 5 的整数，R¹ 至 R⁴ 各代表具有 4 个或更少碳原子的烷基、 其中 n 的含义与上述定义相同，ℓ 和 m 各代表 4 或 5 的整数，R⁵ 和 R⁶ 各代表氢原子、甲基或乙基、 以及使用上述物质的电解电容器。
• Substrate scope in the copper-mediated construction of bis-oxindoles via a double C–H/Ar–H coupling process
  作者：Pauline Drouhin、Timothy E. Hurst、Adrian C. Whitwood、Richard J.K. Taylor

  DOI：10.1016/j.tet.2015.02.060

  日期：2015.9

  The synthesis of bis-oxindoles via the copper(II)-mediated double cyclisation of linear bis-anilides is described. Cu(OAc)(2)center dot H2O was identified as an efficient and inexpensive catalyst for this process. In contrast to previous methods, which rely on the synthesis of the central core from existing oxindole building blocks, this new approach focusses on concurrent formation of both oxindole rings from a simple linear precursor, allowing the formation of bis-oxindoles containing a diverse range of cyclic and acyclic linkers using a single synthetic method. (C) 2015 Elsevier Ltd. All rights reserved.
• Metalated carboxylic acids. I. Alkylation
  作者：Paul L. Creger

  DOI：10.1021/ja00986a056

  日期：1967.5