2,2-dimesityl-vinyl alcohol | 54288-04-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2,2-dimesityl-vinyl alcohol
• 英文别名: 2,2-dimesitylethenol；2,2-Dimesityl-vinylalkohol；Ethenol, 2,2-bis(2,4,6-trimethylphenyl)-；2,2-bis(2,4,6-trimethylphenyl)ethenol
• CAS: 54288-04-9
• 化学式: C₂₀H₂₄O
• 分子量: 280.41
• InChiKey: ZEWSRGXZSLAREL-UHFFFAOYSA-N

物化性质

• 熔点：
  128-129 °C
• 沸点：
  406.1±45.0 °C(Predicted)
• 密度：
  1.017±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2-dimesityl-vinyl alcohol 在 盐酸 作用下， 生成 2,2-dimesitylvinyl methyl ether
  参考文献：
  名称：

  Simplified Model for the Operation of Chilled Water Cooling Coils Under Nonnominal Conditions

  摘要：

  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.

  DOI：

  10.1080/10789669.2002.10391433
• 作为产物：
  描述：

  2,2-dimesitylethanol 在 重铬酸吡啶 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 反应 96.0h， 生成 2,2-dimesityl-vinyl alcohol
  参考文献：
  名称：

  Stable simple enols. 8. Synthesis and keto .dblharw. enol equilibria of the elusive 2,2-dimesitylethanal and 1,2,2-trimesitylethanone. Conformations of 1,2,2-trimesitylethanone and 1,2,2-trimesitylethanol

  摘要：

  DOI：

  10.1021/ja00290a043

文献信息

• Sterically Shielded Titanocene Enolates – Synthesis, Structure and Their Exceptional Stability towards Hydrolysis
  作者：Michael Schmittel、Rolf Söllner、Helmut Werner、Olaf Gevert

  DOI：10.1002/cber.19971300209

  日期：1997.2

  various sterically congested sodium enolates, generated by quantitative deprotonation of stable enols (of diphenylacetaldehyde in the case of 5), with dichlorotitanocene afforded a series of novel titanium enolates 1-5. The crystal structure of 1 could be determined. Due to the considerable steric shielding of the β,β-diaryl moiety, all the titanium enolates exhibit an oustanding stability towards hydrolysis

  由稳定的烯醇（在5的情况下，二苯乙醛的定量）质子化所引起的各种空间拥塞的烯醇钠与二氯噻吩并茂的反应，提供了一系列新型的烯醇钛1-5。可以确定1的晶体结构。由于β，β-二芳基部分的相当大的空间屏蔽作用，所有的烯醇钛盐都表现出极好的水解稳定性，随着对CC双键的取代基的更高空间需求，该稳定性增加。通过UV光谱法研究了水解的动力学，其在THF /水（1：1）和乙腈/水（1：1）中为拟一级反应。在这些溶剂混合物中测得的拟一级反应速率常数在6.4·10的范围内-4 s -1 < k 1 <1.1·10 -3 s -1。为了进行比较，应该表现出通常的烯醇钛酸酯对水解敏感性的6的水解快约1000倍。
• First characterisation of zirconium enolate radical cations in solution and their mesolytic bond cleavage to zirconocene cations
  作者：Michael Schmittel、Rolf Söllner

  DOI：10.1039/a708495a

  日期：——

  Zirconocene enolate radical cations are generated and characterised in solution for the first time; the sterically congested radical cations undergo a mesolytic Zr–O bond cleavage process yielding zirconocene cations, the kinetics of which are determined.

  首次在溶液中生成锆烯烯酮自由基阳离子并对其进行表征；立体拥塞的自由基阳离子经过介解 Zr-O 键裂解过程生成锆烯阳离子，并确定了其动力学。
• Probing M−O Bond Cleavage in Silicon and Titanium Bisenolate Radical Cations
  作者：Michael Schmittel、Armin Burghart、Helmut Werner、Matthias Laubender、Rolf Söllner

  DOI：10.1021/jo981793z

  日期：1999.4.1

  In this study, several novel sterically congested silicon and titanium bisenolates of exceptional hydrolytic stability have been synthesized and characterized. The structure of the titanium bisenolate T2 could be determined by X-ray structure analysis. Preparative one-electron oxidation of the sterically shielded metal bisenolates S1-S4 and T1-T2 led to formation of the benzofurans B1 and B2. As the

  在这项研究中，已经合成和表征了几种新型的具有超强水解稳定性的空间拥挤的硅和钛双酚盐。可以通过X射线结构分析确定二烯酸钛T2的结构。空间屏蔽的金属双酚盐S1-S4和T1-T2的制备性单电子氧化导致苯并呋喃B1和B2的形成。由于苯并呋喃的形成是在初始自由基阳离子阶段发生MO键断裂过程的有力证据，因此我们能够使用循环伏安法（一级速率常数范围为k（f）= 0.1-90 s（-）（1））。这些数据表明，硅酸二苯酚和钛酸二苯酚盐都是氧化分子内碳-碳键形成过程的有趣候选物。
• The Addition of t-Butylmagnesium Chloride to 2,2-Diphenyl-1-acenaphthenone
  作者：Reynold C. Fuson、Gary W. Griffin

  DOI：10.1021/ja01565a047

  日期：1957.4
• Stable simple enols. 11. Equilibrium constants for the 1-alkyl-2,2-dimesitylethenol/1-alkyl-2,2-dimesitylethanone systems in hexane. The predominance of steric effects on Kenol values
  作者：David A. Nugiel、Zvi Rappoport

  DOI：10.1021/ja00298a042

  日期：1985.6