1,3,4-trihydroxy-2,5-hexanedione

• 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: 1,3,4-trihydroxy-2,5-hexanedione
• 英文别名: 1,3,4-Trihydroxyhexane-2,5-dione
• 化学式: C₆H₁₀O₅
• 分子量: 162.142
• InChiKey: KFHNTUHHTDAEOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,3-二羟基丙酮 、 丙酮醛 在 arsenate buffer 、 Staphylococcus carnosus fructose-1,6-biphosphate aldolase 作用下， 反应 48.0h， 生成 1,3,4-trihydroxy-2,5-hexanedione
  参考文献：
  名称：

  Facile Enzymatic Aldol Reactions with Dihydroxyacetone in the Presence of Arsenate

  摘要：

  Aldol reactions of in situ formed dihydroxyacetone arsenate with different aldehydes were catalyzed by bacterial D-fructose-1,6-bisphosphate aldolase (FruA). Aldolases from bacteria were found to be much more stable and active than FruA from rabbit muscle. Arsenate acts as a phosphate mimic and can, in principle, be used in catalytic amounts. The use of inorganic arsenate and dihydroxyacetone afforded high yields with hydrophobic aldehydes. Cosolvents increased the solubility of hydrophobic aldehydes and afforded higher reaction rates and enzyme stability. Insight is given, for the first time, in the influence of arsenate on the stereoselectivity of the aldol reaction.

  DOI：

  10.1021/jo001766k

文献信息

• SEMI-FINISHED PRODUCT AND TIRE COMPRISING A COMPOSITION CONTAINING A CORROSION INHIBITOR
  申请人：COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN

  公开号：US20150337111A1

  公开（公告）日：2015-11-26

  A semi-finished product or tire comprises a metal reinforcing element embedded in a rubber composition comprising a compound of formula (I): where X and Y represent, independently of one another, an alkali metal or alkaline earth metal cation.
• US9416250B2
  申请人：——

  公开号：US9416250B2

  公开（公告）日：2016-08-16
• Facile Enzymatic Aldol Reactions with Dihydroxyacetone in the Presence of Arsenate
  作者：Rob Schoevaart、Fred Van Rantwijk、Roger A. Sheldon

  DOI：10.1021/jo001766k

  日期：2001.6.1

  Aldol reactions of in situ formed dihydroxyacetone arsenate with different aldehydes were catalyzed by bacterial D-fructose-1,6-bisphosphate aldolase (FruA). Aldolases from bacteria were found to be much more stable and active than FruA from rabbit muscle. Arsenate acts as a phosphate mimic and can, in principle, be used in catalytic amounts. The use of inorganic arsenate and dihydroxyacetone afforded high yields with hydrophobic aldehydes. Cosolvents increased the solubility of hydrophobic aldehydes and afforded higher reaction rates and enzyme stability. Insight is given, for the first time, in the influence of arsenate on the stereoselectivity of the aldol reaction.