4-(2,4,6-三甲基苯基)-4-氧代丁酸 | 15880-01-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-(2,4,6-三甲基苯基)-4-氧代丁酸
• 英文名称: 3-(2,4,6-Trimethylbenzoyl)-propionic acid
• 英文别名: 4-oxo-4-(2,4,6-trimethylphenyl)butanoic acid；4-oxo-4-(2,4,6-trimethylphenyl)butyric acid；3-(2,4,6-trimethylbenzoyl)propionic acid；4-mesityl-4-oxo-butyric acid；4-Oxo-4-(2.4.6-trimethyl-phenyl)-buttersaeure；4-Mesityl-4-oxo-buttersaeure；4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid
• CAS: 15880-01-0
• 化学式: C₁₃H₁₆O₃
• 分子量: 220.268
• InChiKey: QWOIQKXIBFKZKN-UHFFFAOYSA-N

物化性质

• 熔点：
  107 °C
• 沸点：
  400.4±33.0 °C(Predicted)
• 密度：
  1.115±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  4-(2,4,6-三甲基苯基)-4-氧代丁酸 在 sodium hydroxide 、 sodium hypochlorite 作用下， 生成 2,4,6-三甲基苯甲酸
  参考文献：
  名称：

  The barrier layer in the southern region of the South China Sea

  摘要：

  By analysing the CTD data in the southern region of the South China Sea gathered during six cruises between 1989 and 1999, a barrier layer with seasonal variation just like what exists in the equatorial oceans Is found in this region. It is the first discovery in such a marginal sea yet. It is strong in autumn and a little weak In summer and winter. The thicker the barrier layer, the higher the average temperature of the upper mixed layer. The region with the thicker barrier layer overlaps the region with the higher average temperature of the upper mixed layer, and accords with the thicker region of the warm pool in the South China Sea got from the Levitus data. The barrier layer in the southern region of the South China Sea has significant influence on the heat storage of the upper ocean there.

  DOI：

  10.1007/bf03183396
• 作为产物：
  描述：

  丁二酸酐 、 均三甲苯 在 [bmim]Cl*AlCl₃ 作用下， 反应 6.0h， 以85%的产率得到4-(2,4,6-三甲基苯基)-4-氧代丁酸
  参考文献：
  名称：

  Mohile, Swapnil S.; Potdar, Mahesh K.; Salunkhe, Manikrao M., Journal of Chemical Research - Part S, 2003, # 10, p. 650 - 651

  摘要：

  DOI：

文献信息

• Process for the production of cyclic sulfonium salts
  申请人：Ciba-Geigy Corporation

  公开号：US05525736A1

  公开（公告）日：1996-06-11

  A process for the production of a 5-7 membered ring cyclic sulfonium salt compound, including a 5-7 membered ring cyclic sulfonium salt compound having a non-nucleophilic anion, is described. Members of the latter group are potentially useful as initiators for cationic polymerizations. The process comprises reacting a 1.4-, 1.5-, or 1.6-diol compound or a 5-7 membered ring cyclic ether compound with a mercapto compound and a strong protonic acid yielding the cyclic sulfonium salt compound. Some compounds described are also novel compounds per se.

  生产5-7成员环状磺隆盐化合物的方法，包括具有非亲核阴离子的5-7成员环状磺隆盐化合物的方法。后一组的成员可能作为阳离子聚合的引发剂有潜在用途。该方法包括将1,4-、1,5-或1,6-二醇化合物或5-7成员环状醚化合物与巯基化合物和强质子酸反应，生成环状磺隆盐化合物。描述的一些化合物本身也是新颖的化合物。
• Foodstuffs containing sweetness inhibiting agents and process for inhibiting the sweetness perception of a foodstuff
  申请人：GENERAL FOODS CORPORATION

  公开号：EP0156317A2

  公开（公告）日：1985-10-02

  @ Foodstuffs containing sweetness inhibitors having the general formula: wherein R7 is selected from the group consisting of hydrogen and C1-C3 alkyl, R. is selected from the group consisting of hydrogen and C1-C3 alkyl and wherein R9 is the group wherein R2, R3, R4, R. and R4 are independently selected from the group consisting of hydrogen, C1-C3 alkyl, C1-C3 alkoxy, C1-C2 hydroxyalkyl, hydroxy and COOH; and the non-toxic salts thereof. Disclosed is also a process for inhibiting the sweetness perception of a foodstuff.

  其中R7选自由氢和C1-C3烷基组成的组，R.选自由氢和C1-C3烷基组成的组，R9是R2、R3、R4、R.和R4独立地选自由氢、C1-C3烷基、C1-C3烷氧基、C1-C2羟烷基、羟基和COOH组成的组，以及它们的无毒盐。 还公开了一种抑制食品甜味感知的工艺。
• Coating compositions
  申请人：CIBA-GEIGY AG

  公开号：EP0412933A1

  公开（公告）日：1991-02-13

  The present invention provides coating compositions comprising a) an organic film-forming binder; and b) a corrosion-inhibiting amount of a salt of i) a ketoacid having the formula (I): wherein a is 1,2,3,4 or 5; the R substituents are the same or different and each is hydrogen; halogen; nitro; cyano; CF₃; C₁-C₁₅ alkyl; C₅-C₁₂ cycloalkyl; C₂-C₁₅ alkenyl; C₁-C₁₂ halogenoalkyl; C₁-C₁₂ alkoxy; C₁-C₁₂ thioalkyl; C₆-C₁₂ aryl; C₆-C₁₀ aryloxy; C₇-C₁₂ alkaryl; -CO₂R₁ in which R₁ is a) hydrogen, b) C₁-C₂₀ alkyl optionally inter­rupted by one or more O-, N- or S-atoms, c) C₇-C₁₂ alkaryl or d) C₆-C₁₂ aryl optionally substituted with one or more carboxy groups; -COR₁ in which R₁ has its previous signi­ficance; NR₂R₃ in which R₂ and R₃ are the same or different and each is hydrogen or C₁-C₂₄ alkyl optionally interrupted by one or more O, S or NH moieties; or when a is 2, 3, 4 or 5, two adjacent groups R may be the atoms required to form a fused benzene or cyclo­hexyl ring; and n is an integer from 1 to 10; and ii) an amine of formula II: wherein X, Y and Z are the same or different, and are hydrogen; C₄-C₂₄ alkyl optionally interrupted by one or more O-atoms; phenyl; C₇-C₉ phenylalkyl; C₇-C₉ alkylphenyl; or two of X, Y and Z together with the N-atom to which they are attached form a 5-, 6- or 7-membered heterocyclic residue, which optionally contains a further oxygen, nitrogen or sulphur atom and which is optionally substituted by one or more C₁-C₄ alkyl, amino, hydroxy, carboxy or C₁-C₄ carboxy alkyl groups, and the other of X, Y and Z is hydrogen; provided that X, Y and Z are not simultaneously hydrogen. The salts derived from ketoacids of formula I and amines of formula II are new compounds.

  本发明提供的涂料组合物包括 a) 有机成膜粘合剂；和 b) 一种盐的腐蚀抑制剂。 i) 具有式(I)的酮酸： 其中 a 为 1、2、3、4 或 5；R 取代基相同或不同，且各自为氢；卤素；硝基；氰基；CF₃；C₁-C₁₅ 烷基；C₅-C₁₂ 环烷基；C₂-C₁₅ 烯基；C₁-C₁₂ 卤代烷基；C₁-C₁₂ 烷氧基；C₁-C₁₂ 硫代烷基；C₆-C₁₂ 芳基；C₆-C₁₀ 芳氧基； C₇-C₁₂ 烷芳基；-CO₂R₁，其中 R₁ a) 氢； b) C₁-C₂₀烷基，可选被一个或多个 O-、N- 或 S 原子间断、c) C₇-C₁₂烷芳基或 d) C₆-C₁₂芳基，可选地被一个或多个羧基取代；-COR₁，其中 R₁ 具有其先前的意义； NR₂R₃ ，其中 R₂ 和 R₃ 相同或不同，并且各自为氢或 C₁-C₂₄烷基，可选择被一个或多个 O、S 或 NH 分子打断；或当 a 为 2、3、4 或 5 时，两个相邻基团 R 可为形成融合苯环或环己基环所需的原子；且 n 为 1 至 10 的整数；以及 ii) 式 II 的胺 其中 X、Y 和 Z 相同或不同，并且是氢；C₄-C₂₄ 烷基，可选被一个或多个 O 原子打断；苯基；C₇-C₉ 苯基烷基；C₇-C₉ 烷基苯基；或 X、Y 和 Z 中的两个与它们所连接的 N 原子一起形成 5、6 或 7 元杂环残基，该残基可选地含有另一个氧原子、氮原子或硫原子，并可选地被一个或多个 C₁-C₄ 烷基、氨基、羟基、羧基或 C₁-C₄ 羧基烷基取代，而 X、Y 和 Z 中的另一个是氢；条件是 X、Y 和 Z 不能同时是氢。 由式 I 的酮酸和式 II 的胺衍生的盐是新化合物。
• Ingestibles containing substantially tasteless sweetness inhibitors as bitter taste reducers or substantially tasteless bitter inhibitors as sweet taste reducers
  申请人：BIORESEARCH, INC.

  公开号：EP0727149A2

  公开（公告）日：1996-08-21

  Sweetness inhibitors which are substantially tasteless have been found to be bitter taste inhibitors or blockers. Conversely, bitter taste inhibitors which are substantially tasteless have been found to be sweet taste inhibitors or blockers.

  已发现基本上无味的甜味抑制剂是苦味抑制剂或阻断剂。反之，基本无味的苦味抑制剂被发现是甜味抑制剂或阻断剂。
• Ingestible containing substantially tasteless sweetness inhibitors as bitter taste reducers or substantially tasteless bitter inhibitors as sweet taste reducers
  申请人：BIORESEARCH, INC.

  公开号：EP0728419A2

  公开（公告）日：1996-08-28

  Sweetness inhibitors which are substantially tasteless have been found to be bitter taste inhibitors or blockers. Conversely, bitter taste inhibitors which are substantially tasteless have been found to be sweet taste inhibitors or blockers.

  已发现基本上无味的甜味抑制剂是苦味抑制剂或阻断剂。反之，基本无味的苦味抑制剂被发现是甜味抑制剂或阻断剂。