2,4,6,2',4',6'-Hexamethyl-benzoin ( Mesitoin) | 57642-31-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2,4,6,2',4',6'-Hexamethyl-benzoin ( Mesitoin)
• 英文别名: Mesitoin；2,4,6,2',4',6'-Hexamethyl-benzoin；2-hydroxy-1,2-bis(2,4,6-trimethylphenyl)ethanone
• CAS: 57642-31-6
• 化学式: C₂₀H₂₄O₂
• 分子量: 296.409
• InChiKey: XDHQBRSOVFLHHS-UHFFFAOYSA-N

物化性质

• 熔点：
  59-60 °C
• 沸点：
  455.0±40.0 °C(Predicted)
• 密度：
  1.067±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.45
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2,4,6,2',4',6'-Hexamethyl-benzoin ( Mesitoin) 在 乙酰氯 作用下， 生成 α-acetoxy-2,4,6,2',4',6'-hexamethyl-deoxybenzoin
  参考文献：
  名称：

  Enediols. III. 1,2-Dimesitylacetylene Glycol

  摘要：

  DOI：

  10.1021/ja01860a048
• 作为产物：
  描述：

  2.4.6.2'.4'.6'-hexamethyl-trans-stilbenediol-(α.α') 在 哌啶乙酸盐 作用下， 生成 2,4,6,2',4',6'-Hexamethyl-benzoin ( Mesitoin)
  参考文献：
  名称：

  The Reduction of α-Diketones

  摘要：

  DOI：

  10.1021/ja01874a080

文献信息

• The Photochemical Reaction of α-Diketones
  作者：Kazuhiro Maruyama、Keiichi Ono、Jiro Osugi

  DOI：10.1246/bcsj.45.847

  日期：1972.3

  The relative photochemical reactivity of α-diketones, in particular, 9,10-phenanthraquinone, 1,2-naphthoquinone, acenaphthoquinone, benzil, 4,4′-dimethylbenzil, 2,4,6-trimethylbenzil, 2,5,2′,5′-tetramethylbenzil, 2,3,5,6-tetramethylbenzil, 2,4,6,2′,4′,6′-hexamethylbenzil, phenylglyoxal, 2,5-dimethylphenylglyoxal, and 2,4,6-trimethylphenylglyoxal was investigated in hydrogen donating solvents. Type of the product and relative reactivity differ widely according to the structure of α-dike tones. Whereas 9,10-phenanthraquinone gives 1,4-adduct (V) in a hydrogen donating solvent (THF), 2,5,2′,5′-tetramethylbenzil gives 2-hydroxy-2-(2′,5′-dimethylphenyl)indanone (VII) via intramolecular hydrogen abstraction in nearly quantitative yield. No photochemical reaction of 2,4,6-trimethylbenzil or 2,3,5,6-tetramethylbenzil could be observed in the same solvent even under a long irradiation.

  α-二酮，特别是9,10-菲醌、1,2-萘醌、苊醌、苯偶酰、4,4′-二甲基苯偶酰、2,4,6-三甲基苯偶酰、2,5,2′,5′-四甲基苯偶酰、2,3,5,6-四甲基苯偶酰、2,4,6,2′,4′,6′-六甲基苯偶酰、苯乙二醛、2,5-二甲基苯乙二醛和2,4,6-三甲基苯乙二醛在供氢溶剂中的光化学反应活性被研究。产物的类型和相对反应活性根据α-二酮的结构差异很大。9,10-菲醌在供氢溶剂（四氢呋喃）中生成1,4-加合物（V），而2,5,2′,5′-四甲基苯偶酰通过分子内氢抽提以接近定量的产率生成2-羟基-2-（2′,5′-二甲基苯基）茚满酮（VII）。在相同溶剂中长时间照射下，2,4,6-三甲基苯偶酰或2,3,5,6-四甲基苯偶酰的光化学反应无法被观察到。
• A New Synthesis of Mixed Benzoins. Second Paper
  作者：Richard T. Arnold、Reynold C. Fuson

  DOI：10.1021/ja01298a062

  日期：1936.7
• Simplified Model for the Operation of Chilled Water Cooling Coils Under Nonnominal Conditions
  作者：O. Morisot、D. Marchio、P. Stabat

  DOI：10.1080/10789669.2002.10391433

  日期：2002.4.1

  This study presents a cooling coil model for calculating energy consumption in air-conditioned buildings that has a minimal number of inputs. The model accurately determines the cooling energy rate and dehumidification energy rate tinder nonnominal conditions, and takes into account operation tinder variable air and water flows. In this manner, the model enhances the simplified ASHRAE Toolkit model without requiring more input data. The main assumptions are justified considering the common existing configurations of cooling coils in the air-conditioning industry. The parameters of the model are identified from only one nominal rating point. The model has been validated on a VAV facility with an average deviation of 5% for total energy rate. Errors are mainly due to the assumption that the coil is either completely wet or dry even if the surface is partially wet.
• Bimolecular Reduction of Hindered Aldehydes
  作者：Reynold C. Fuson、E. C. Horning、M. L. Ward、S. P. Rowland、J. L. Marsh

  DOI：10.1021/ja01253a009

  日期：1942.1
• The Synthesis of Mixed Benzoins
  作者：Reynold C. Fuson、William S. Emerson、H. H. Weinstock

  DOI：10.1021/ja01871a053

  日期：1939.2