exo-3,endo-7-diacetyl-1-hydroxy-endo-3,5,exo-7-trimethyl-cis-2,4,6-trioxabicyclo[3.3.0]octane | 959620-30-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: exo-3,endo-7-diacetyl-1-hydroxy-endo-3,5,exo-7-trimethyl-cis-2,4,6-trioxabicyclo[3.3.0]octane
• 英文别名: 1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro(2,3-d)-1,3-dioxole-2,5-diyl)bis-ethanone, (2S,3aR,5R,6aR)-；1-[(2S,3aR,5R,6aR)-2-acetyl-6a-hydroxy-2,3a,5-trimethyl-6H-furo[2,3-d][1,3]dioxol-5-yl]ethanone
• CAS: 959620-30-5
• 化学式: C₁₂H₁₈O₆
• 分子量: 258.271
• InChiKey: TXTNKDRGVWKECN-DDHJBXDOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  exo-3,endo-7-diacetyl-1-hydroxy-endo-3,5,exo-7-trimethyl-cis-2,4,6-trioxabicyclo[3.3.0]octane 、 2,4-二硝基苯肼 以 乙醇 为溶剂， 生成 1-((2S,3aR,5R,6aR)-2-{1-[(2,4-Dinitro-phenyl)-hydrazono]-ethyl}-6a-hydroxy-2,3a,5-trimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-ethanone
  参考文献：
  名称：

  Hudec, John; Crabb, Trevor A.; Patel, Asmita V., Heterocycles, 1996, vol. 43, # 10, p. 2125 - 2129

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-丁二酮 在 anion-exchange resin (OH-form) 作用下， 反应 120.0h， 以35%的产率得到exo-3,endo-7-diacetyl-1-hydroxy-endo-3,5,exo-7-trimethyl-cis-2,4,6-trioxabicyclo[3.3.0]octane
  参考文献：
  名称：

  联乙酰三聚体的立体结构

  摘要：

  根据化学和光谱学证据以及单晶X射线分析确定联乙酰的两个三聚体的结构。所示化合物为exo -3，内源-7-二乙酰基-1-羟基-endo -3,5，exo -7-三甲基-顺式-2,4,6-三氧杂双环[3.3.0]辛酸（2）和11-羟基-1,3,5,7,11-五甲基-顺-2,4,6,8-四氧三环[3.3.3.0 3.7 ] undecan -9-one（3）。

  DOI：

  10.1016/s0040-4020(01)96564-0

文献信息

• USE OF DIACETYL TRIMER AS AN AROMATIC AND FLAVOURING SUBSTANCE
  申请人：Symrise GmbH & Co. KG

  公开号：EP1819238B1

  公开（公告）日：2009-02-18
• Use of Diacetyl Trimer as an Aromatic and Flavouring Substance
  申请人：Gatfield Ian

  公开号：US20090208426A1

  公开（公告）日：2009-08-20

  The invention relates to the use of 2,5-diacetyl-3a,5,6,6a-tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole (diacetyl trimer) of the formula in the form of one of its stereoisomers or in the form of a mixture consisting of or containing two or more of the stereoisomers (i) as an odoriferous or aromatic substance, (ii) for imparting, intensifying and/or modifying a creamy and/or fatty sensation in the mouth, (iii) for imparting, intensifying and/or modifying a sweet, buttery, cream-like and/or creamy flavour, and/or (iv) for masking a bitter flavour. The invention furthermore relates to corresponding aromatic compositions as well as compositions which serve for nutrition, oral hygiene, consumption for pleasure or for oral pharmaceutical use.
• USE OF DIACETYL DIMER AS AN AROMATIC AND/OR FLAVOURING SUBSTANCE
  申请人：Ley Jakob

  公开号：US20100062030A1

  公开（公告）日：2010-03-11

  The invention relates to the use of 5-acetyl-2,5-dimethyl-2-hydroxy-tetrahydrofuran-3-one (diacetyl dimer of formula (I)) in the form of one of its stereoisomers or in the form of a mixture consisting of or containing two, three or four of its stereoisomers (i) for imparting, intensifying and/or modifying a creamy and/or fatty sensation in the mouth, (ii) for imparting, intensifying and/or modifying a sweet, buttery, cream-like and/or creamy flavour; and/or (iii) as an aromatic and/or flavouring substance. The invention furthermore relates to a process (i) for imparting, intensifying and/or modifying a creamy and/or fatty sensation in the mouth, (ii) for imparting, intensifying and/or modifying a sweet, buttery, cream-like and/or creamy flavour, to corresponding aromatic compositions, to formulations selected from a nutrition formulation (foodstuff), an oral hygiene formulation, a luxury product formulation, a formulation for oral pharmaceutical use or a semi-finished good formulation for the preparation of nutrition formulations or luxury product formulations, as well as preparations comprising one or more of said compositions and/or formulations.
• US8318711B2
  申请人：——

  公开号：US8318711B2

  公开（公告）日：2012-11-27
• US8287934B2
  申请人：——

  公开号：US8287934B2

  公开（公告）日：2012-10-16