酮丙二酸 | 560-27-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 酮丙二酸
• 中文别名: 二羟基丙二酸；2,2-二羟基丙二酸
• 英文名称: dihydroxymalonic acid
• 英文别名: dihydroxypropanedioic acid；2,2-dihydroxymalonic acid；2,2-dihydroxymalonicacid；2-dihydroxymalonic acid；mesoxalic acid；dihydroxy-malonic acid；2,2-dihydroxypropanedioic acid
• CAS: 560-27-0
• 化学式: C₃H₄O₆
• 分子量: 136.061
• InChiKey: VUCKYGJSXHHQOJ-UHFFFAOYSA-N

物化性质

• 沸点：
  474.0±45.0 °C(Predicted)
• 密度：
  2.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2918199090

反应信息

• 作为反应物：
  描述：

  酮丙二酸 在 sodium nitrate 作用下， 生成 二氧化碳
  参考文献：
  名称：

  Kinetic and transport analysis of immobilized oxidoreductases that oxidize glycerol and its oxidation products

  摘要：

  Glycerol has drawn increasing attention as a possible fuel, because it has many desirable qualities and is abundant due to the fact that it is a byproduct of biodiesel production. Previous research has shown that non-natural enzyme cascades can be used to create a bioanode that can stepwise oxidize glycerol to carbon dioxide. Two of these enzymes are pyrroloquinoline quinone (PQQ) dependant alcohol dehydrogenase (ADH) and aldehyde dehydrogenase (AldDH) derived from Gluconobacter. The third enzyme, which is responsible for carbon bond cleavage, is oxalate oxidase (OxOx) derived from barley. Previous research has shown that all three enzymes have demonstrated the ability to undergo direct electron transfer to a carbon electrode which allows for a simple and efficient bioanode that completely oxidizes glycerol. In this study, each enzyme was individually immobilized within modified Nafion(R) on a glassy carbon rotating disc electrode (GC-RDE) and voltammetric analysis was performed employing different rotation rates in a solution containing each enzyme's respective substrate. This substrate was glycerol for alcohol dehydrogenase, glyceraldehyde for aldehyde dehydrogenase, and mesoxalic acid for oxalate oxidase. From the voltammograms, Levich plots were produced and the solution diffusion coefficient (D-soln). the membrane diffusion coefficient (D-film), k(CAT), K-M, and V-MAX were determined. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.electacta.2009.09.083
• 作为产物：
  描述：

  5-Chlor-5-formyloxy-2,2-dimethyl-1,3-dioxan-4,6-dion 在 水 作用下， 生成 酮丙二酸
  参考文献：
  名称：

  Regitz,M.; Adolph,H.-G., Justus Liebigs Annalen der Chemie, 1969, vol. 723, p. 47 - 60

  摘要：

  DOI：

文献信息

• [EN] IMIDAZOPYRIDINE SUBSTITUTED TROPANE DERIVATIVES WITH CCR5 RECEPTOR ANTAGONIST ACTIVITY FOR THE TREATMENT OF HIV AND INFLAMMATION<br/>[FR] DERIVES DE TROPANE A SUBSTITUTION IMIDAZOPYRIDINE EN TANT QU'ANTAGONISTES DES RECEPTEURS CCR5 POUR LE TRAITEMENT DU VIH ET DE L'INFLAMMATION
  申请人：PFIZER LTD

  公开号：WO2005033107A1

  公开（公告）日：2005-04-14

  The present invention provides compounds of formula (I) wherein R1 and R2 are as defined hereinabove. The compounds of the present invention are modulators, especially antagonists, of the activity of chemokine CCR5 receptors. Modulators of the CCR5 receptor may be useful in the treatment of various inflammatory diseases and conditions, and in the treatment of infection by HIV and genetically related retroviruses.

  本发明提供了式（I）中R1和R2如上所定义的化合物。本发明的化合物是化学因子CCR5受体的调节剂，特别是拮抗剂。CCR5受体的调节剂可能在治疗各种炎症性疾病和状况以及治疗HIV和遗传相关逆转录病毒感染方面有用。
• Aqueous Phase Reactivity of Nitrate Radicals (NO₃) Toward Dicarboxylic Acids
  作者：Ph. G. de Sémainville、B. D Anna、Ch. George

  DOI：10.1524/zpch.2010.6150

  日期：2010.8.1

  Laser photolysis technique was used to study the reactivity of nitrate radical towards four dicarboxylic acids. The temperature dependence of the reactions was investigated in the range from 278K to 318K. The effect of the acid-base equilibrium was examined by measuring the activation parameters of the dissociated and undissociated acids at different pH. For droplets or aerosols under moderate acidic conditions, the charge exchange reaction at the carboxylate group might compete with the oxidation by the hydroxyl radical. On liquid particles enriched in nitrate (such as a deliquescent ammonium nitrate), the lifetime of carboxylic groups towards the NO₃ radical may be as short as few hours (or less).

  激光光解技术被用来研究硝酸根对四种二羧酸的反应性。研究了反应的温度依赖性，范围从278K到318K。通过测量不同pH下解离和未解离酸的活化参数来考察酸碱平衡的影响。对于在中等酸性条件下的液滴或气溶胶，羧基团上的电荷交换反应可能与羟基自由基的氧化竞争。在富含硝酸根的液滴（如吸湿性硝酸铵）上，羧基团对NO3自由基的寿命可能只有几小时（甚至更短）。
• Magnetic Ordering in Two Molecule-Based (10,3)-a Nets Prepared from a Copper(II) Trinuclear Secondary Building Unit
  作者：Beatriz Gil-Hernández、Pedro Gili、Jana K. Vieth、Christoph Janiak、Joaquín Sanchiz

  DOI：10.1021/ic100796e

  日期：2010.8.16

  3D-(Ph4P)2[MnCu3(Hmesox)3Cl]·3.5H2O} (2) have been prepared from a tricopper(II) secondary building unit (SBU), [Cu3(Hmesox)3]3− (H4mesox = mesoxalic acid, 2-dihydroxymalonic acid). Compound 1 is obtained by means of the reaction of the SBU with manganese(II) acetate in the presence of potassium cations and the 18-crown-6 ether, whereas compound 2 is obtained by means of the reaction of the SBU with manganese(II) acetate

  两种新型的分子式材料，分别为式3D-[K（H 2 O）6 ] 0.5 [K（18-crown-6）] 0.5 [MnCu 3（Hmesox）3 ]·5.25H 2 O}（1）和3D-（Ph 4 P）2 [MnCu 3（Hmesox）3 Cl]·3.5H 2 O}（2）是由三铜（II）二级建筑单元（SBU），[Cu 3（Hmesox）3 ] 3-（H 4 mesox =中草酸，2-二羟基丙二酸）。化合物1在钾阳离子和18-冠-6醚存在下，通过SBU与乙酸锰（II）的反应制得化合物，而通过SBU与乙酸锰（II）的反应制得化合物2。在Ph 4 PCl存在的情况下。化合物1和2中的[MnCu 3（Hmesox）3 ] -和[MnCu 3（Hmesox）3 Cl] 2-部分分别产生手性3连接的三维（3D）阴离子（10,3）-a （srs，SrSi 2）网。在立方和中心对称结构（帕3）的1，两个与
• Preparation of 3-substituted 6,7-dimethoxyquinoxalin-2(1h)-ones and studies of their potential as fluoroionophores
  作者：Abid R. Ahmad、Lina K. Mehta、John Parrick

  DOI：10.1016/0040-4020(95)00731-m

  日期：1995.11

  Improved routes to the quinoxalinone acid chloride 1 and the 3-methyl-quinoxalinone 21 are described. These intermediates are used to obtain the fluoroionophores 15–19 and 27–29, respectively. The effects of the complexation of metal ions by the fluoroionophores is discussed. A red pigment 26 is obtained from 21.

  描述了制备喹喔啉酮酰氯1和3-甲基喹喔啉酮21的改进途径。这些中间体分别用于获得氟离子载体15-19和27-29。讨论了由氟离子载体络合金属离子的影响。从21获得红色颜料26。
• Spontaneous resolution upon crystallization of chiral La(iii) and Gd(iii) MOFs from achiral dihydroxymalonate
  作者：Beatriz Gil-Hernández、Henning A. Höppe、Jana K. Vieth、Joaquin Sanchiz、Christoph Janiak

  DOI：10.1039/c0cc01804j

  日期：——

  The achiral chelating and bridging dihydroxymalonato (mesoxalato) ligand is a new enantiopurity enforcer in extended structures by yielding the Λ/Δ-metal configured homochiral MOFs 2D-[Ln2(μ-mesoxalato)3(H2O)6] (Ln = La(III), Gd(III)) through self-resolution during crystal growth.

  非手性螯合和桥接二羟基丙二酸（间羟基丙二酸）配体是扩展结构中一种新的对映体纯度执行器，它通过晶体生长过程中的自分辨产生了Λ/Δ金属构型的同手性 MOFs 2D-[Ln2(μ-mesoxalato)3(H2O)6] (Ln = La(III)、Gd(III))。

表征谱图