tagatose (α-furanose) | 36441-92-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tagatose (α-furanose)
• 英文别名: α-D-tagatofuranose；D-tagatose；fructose；tagatose；D-tagatose；α-D-tagatofuranose；alpha-D-tagatofuranose；(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
• CAS: 36441-92-6
• 化学式: C₆H₁₂O₆
• 分子量: 180.158
• InChiKey: RFSUNEUAIZKAJO-VANKVMQKSA-N

物化性质

• 熔点：
  162 °C
• 沸点：
  440.1±45.0 °C(Predicted)
• 密度：
  1.694±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  110
• 氢给体数：
  5
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tagatose (α-furanose) 在 硫酸 、 水 作用下， 137.0 ℃ 、2.0 MPa 条件下， 生成 5-羟甲基糠醛
  参考文献：
  名称：

  不同的酮和醛脱水为5-羟甲基糠醛

  摘要：

  5-羟甲基糠醛（HMF）被认为是未来生物基化学品的重要组成部分。在这里，我们提供了在水性酸性条件下（65 g L -1底物，100–160°C，33–300 m M H ）使用不同的酮糖（果糖，山梨糖，塔格糖）和醛糖（葡萄糖，甘露糖，半乳糖）进行的实验研究。  2 SO 4）以深入了解己糖脱水成HMF的反应途径。酮糖的反应速率和HMF选择性均明显高于醛糖，这与文献一致。筛选和动力学实验表明，不同酮糖的反应性是C3和C4位置羟基方向的函数。这些结果与DFT计算相结合，指出了涉及环状中间体的脱水机理。对于醛糖，没有观察到羟基取向的影响，表明不同的速率确定步骤。来自文献的知识和这项工作中的发现相结合表明，醛糖在脱水之前需要异构化成酮糖才能获得高HMF收率。

  DOI：

  10.1002/cssc.201300345

文献信息

• Dehydration of Different Ketoses and Aldoses to 5-Hydroxymethylfurfural
  作者：Robert-Jan van Putten、Jenny N. M. Soetedjo、Evgeny A. Pidko、Jan C. van der Waal、Emiel J. M. Hensen、Ed de Jong、Hero J. Heeres

  DOI：10.1002/cssc.201300345

  日期：2013.9

  present an experimental study using different ketoses (fructose, sorbose, tagatose) and aldoses (glucose, mannose, galactose) under aqueous acidic conditions (65 g L−1 substrate, 100–160 °C, 33–300 mM H2SO4) to gain insights into reaction pathways for hexose dehydration to HMF. Both reaction rates and HMF selectivities were significantly higher for ketoses than for aldoses, which is in line with literature

  5-羟甲基糠醛（HMF）被认为是未来生物基化学品的重要组成部分。在这里，我们提供了在水性酸性条件下（65 g L -1底物，100–160°C，33–300 m M H ）使用不同的酮糖（果糖，山梨糖，塔格糖）和醛糖（葡萄糖，甘露糖，半乳糖）进行的实验研究。  2 SO 4）以深入了解己糖脱水成HMF的反应途径。酮糖的反应速率和HMF选择性均明显高于醛糖，这与文献一致。筛选和动力学实验表明，不同酮糖的反应性是C3和C4位置羟基方向的函数。这些结果与DFT计算相结合，指出了涉及环状中间体的脱水机理。对于醛糖，没有观察到羟基取向的影响，表明不同的速率确定步骤。来自文献的知识和这项工作中的发现相结合表明，醛糖在脱水之前需要异构化成酮糖才能获得高HMF收率。
• CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR
  申请人：Auspex Pharmaceuticals, Inc.

  公开号：US20140286943A1

  公开（公告）日：2014-09-25

  The present invention relates to new cyclopropyl modulators of P2Y12 receptor activity, pharmaceutical compositions thereof, and methods of use thereof.

  本发明涉及P2Y12受体活性的新的环丙基调节剂，其制药组合物以及使用方法。
• 10.1080/bbb.58.2168
  作者：Itoh、Okaya、Khan、Tajima、Hayakawa、Izumori

  DOI：10.1080/bbb.58.2168

  日期：——
• ENDOSPORE COMPOSITIONS AND USES THEREOF
  申请人：Annuary Healthcare Inc.

  公开号：US20140178496A1

  公开（公告）日：2014-06-26

  Provided herein in some embodiments is a composition that comprises (a) a nanoscale particle(s) or a microscale particle(s); and (b) a film-forming polymer. Also provided herein is a method for an immediate and sustained released formulation suitable for topical administration or administration to surfaces. Further provided herein in certain embodiments is a method of reducing the population of pathogenic microorganisms on skin or surfaces, wherein a method comprises applying to the skin or surface a composition, wherein the composition comprises (a) a nanoscale particle(s) or a microscale particle(s); and (b) a film-forming polymer.
• Dehydration of fructose to HMF in presence of (H3O)xSbxTe(2-x)O6 (x = 1, 1.1, 1.25) in H2O-MIBK
  作者：Sergio F. Mayer、H. Falcón、R. Dipaola、P. Ribota、L. Moyano、S. Morales-delaRosa、R. Mariscal、J.M. Campos-Martín、J.A. Alonso、J.L.G. Fierro

  DOI：10.1016/j.mcat.2018.12.025

  日期：2020.2

  The pyrochlores (H3O)(x)SbxTe(2-x)O6 (x = 1, 1.1 and 1.25) obtained by ion exchange from KxSbxTe(2-x)O6 oxides were used as catalysts for the conversion of fructose to 5-hydroxymethylfurfural (HMF) in H2O/Methyl isobutyl ketone (MIBK). The structure of the resulting compounds as well as the location of the H3O+ units inside the three-dimensional network, were determined by XRD from powder samples. The effect of factors such as reaction time and temperature on the formation of HMF was studied. A fructose conversion of 99% and a yield of 59% were achieved after 120 min of reaction time and at 150 degrees C temperature. The percentage of substitution of the cations Sb and Te in the position B of the pyrochlore was determinant to achieve the maximum incorporation of H3O+ ions in the pyrochlore structure, which allowed to correlate the density of acidic sites present in the materials and their catalytic activity.