2-(1-羟基-1-甲基-2-氧代丙基)-2,5-二甲基呋喃-3(2H)-酮 | 10410-20-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 中文名称: 2-(1-羟基-1-甲基-2-氧代丙基)-2,5-二甲基呋喃-3(2H)-酮
• 英文名称: 2-(1-hydroxy-1-methyl-2-oxopropyl)-2,5-dimethyl-2,3-dihydro-3-furanone
• 英文别名: 2-(1-hydroxy-1-methyl-2-oxopropyl)-2,5-dimethyl-3(2H)-furanone；2-(1-hydroxy-1-methyl-2-oxo-propyl)-2,5-dimethyl-furan-3-one；2-(1-hydroxy-1-methyl-2-oxopropyl)-2,5-dimethylfuran-3(2H)-one；2,5-dimethyl-2-(2-hydroxy-3-oxo-2-butyl)-3(2H)-furanone；2-(2-hydroxy-3-oxobutan-2-yl)-2,5-dimethylfuran-3-one
• CAS: 10410-20-5
• 化学式: C₁₀H₁₄O₄
• 分子量: 198.219
• InChiKey: CAIJWAJUXIPUNS-UHFFFAOYSA-N

物化性质

• 沸点：
  320.7±30.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2932190090

反应信息

• 作为产物：
  描述：

  2,3-丁二酮 在 盐酸 作用下， 反应 120.0h， 以49.5%的产率得到11-hydroxy-1,3,5,7,11-pentamethyl-2,468-tetraoxatricyclo[3.3.3.0^(3.7)]undecan-9-one
  参考文献：
  名称：

  Acid-promoted reactions of butan-2,3-dione

  摘要：

  Along with the major product (1) by-products of the reaction between butan-2,3-dione and hydrochloric acid were isolated. These include (2), (3), (7) and (9). (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00249-5

文献信息

• Process for the preparation of a savoury flavour
  申请人：UNILEVER PLC

  公开号：EP0784936A1

  公开（公告）日：1997-07-23

  A process for preparing a savoury flavour, the process comprising reacting a compound of general formula X with hydrogen sulphide and/or cystein , wherein    X is: in which R1 represents an alkyl group having 1 or 2 carbon atoms or hydrogen, R2 represents an alkyl group having from 1 to 4 carbon atoms or hydrogen, R3 represents an alkyl group having from 1 to 5 carbon atoms or hydrogen and R4 represents hydrogen or an organic radical consisting of from 1 to 6 carbon atoms, hydrogen and from 0 to 2 oxygen atoms. X is preferably 4-hydroxy-2,5-dimethyl-2-(2-hydroxy-3-oxo-2-butyl)-3(2H)-furanone, and is formed from the reaction of 4-hydroxy-2,5-dimethyl-3(2H)-furanone and diacetyl. 2,5-dimethyl-4-mercapto-3(2H)-furanone is a flavour compound obtainable by this process.

  一种制备美味风味的过程，该过程包括将一般式X的化合物与硫化氢和/或半胱氨酸反应，其中X为：其中R1代表具有1或2个碳原子的烷基基团或氢，R2代表具有1至4个碳原子的烷基基团或氢，R3代表具有1至5个碳原子的烷基基团或氢，R4代表氢或由1至6个碳原子、氢和0至2个氧原子组成的有机基团。X最好是4-羟基-2,5-二甲基-2-(2-羟基-3-氧代-2-丁基)-3(2H)-呋喃酮，并且由4-羟基-2,5-二甲基-3(2H)-呋喃酮和乙二酰反应形成。2,5-二甲基-4-巯基-3(2H)-呋喃酮是通过该过程获得的风味化合物。
• Process for the preparation of savoury flavours
  申请人：QUEST INTERNATIONAL B.V.

  公开号：EP0571031A2

  公开（公告）日：1993-11-24

  The invention relates to a process for the preparation of a savoury flavour which comprises reacting mono- and/or di-methyl-3(2H)-furanone or precursors thereof with cystein and/or hydrogen sulphide. Suitable precursors of mono- or di-methyl-3(2H)-furanone are oligomers of diacetyl, pyruvic aldehyde, pyruvic acid, acetoin, acetol, ethylene glycol aldehyde and glyceraldehyde, including mixed oligomers. The reaction is preferably carried out with cystein and hydrogen sulphide. The latter may be obtained before or during the reaction from a hydrogen sulphide donor. The reaction is preferably carried out at pH below 7, at 60-160°C for 0.5-4 hours. A food grade acid such as acetic acid may be present. The reaction mixtures obtained are rich in methyl substituted furanthiols or derivatives thereof. The invention also relates to flavour precursor mixtures which generate a savoury flavour upon heating and comprises a mono- and/or di-methyl-3(2H)-furanone and/or precursor thereof, cystein and optionally a hydrogen sulphide donor.

  本发明涉及一种制备咸味香精的工艺，该工艺包括使单和/或二甲基-3(2H)-呋喃酮或其前体与半胱氨酸和/或硫化氢反应。单-或二-甲基-3(2H)-呋喃酮的合适前体是二乙酰基、丙酮酸醛、丙酮酸、乙酰丙酮、乙醇、乙二醇醛和甘油醛的低聚物，包括混合低聚物。反应最好与半胱氨酸和硫化氢一起进行。后者可在反应前或反应过程中从硫化氢供体中获得。 反应最好在 pH 值低于 7、60-160°C 的条件下进行 0.5-4 小时。可加入食品级酸（如醋酸）。 得到的反应混合物富含甲基取代的呋喃硫醇或其衍生物。 本发明还涉及加热后产生咸味的香味前体混合物，包括单-和/或二-甲基-3(2H)-呋喃酮和/或其前体、半胱氨酸和硫化氢供体。
• Use of diketone precursors in food products
  申请人：UNILEVER N.V.

  公开号：EP0293957B1

  公开（公告）日：1991-12-18
• 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 DIMER AS AN AROMATIC AND/OR FLAVOURING SUBSTANCE
  申请人：Symrise AG

  公开号：EP2028955B1

  公开（公告）日：2011-11-30