opt.-inakt. Hydromesitoin | 94761-92-9

• 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: opt.-inakt. Hydromesitoin
• 英文别名: 2,4,6,2',4',6'-hexamethyl-bibenzyl-α,α'-diol；1.2-Bis-(2.4.6-trimethyl-phenyl)-aethandiol-(1.2)；1,2-Dimesityl-1,2-ethanediol；1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diol
• CAS: 94761-92-9
• 化学式: C₂₀H₂₆O₂
• 分子量: 298.425
• InChiKey: BAXGUOYSOGOMMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  opt.-inakt. Hydromesitoin 在 乙醇 、 copper oxide-chromium oxide 作用下， 200.0 ℃ 、10.3 MPa 条件下， 生成 2,4,6-三甲基苄醇
  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：

  2,4,6-三甲基苯甲醛 在 samarium diiodide 作用下， 以 四氢呋喃 为溶剂， 反应 0.01h， 以95%的产率得到opt.-inakt. Hydromesitoin
  参考文献：
  名称：

  二碘化sa促进的一些有机反应

  摘要：

  在二碘化sa存在下，醛与烯丙基或苄基卤化物之间的反应可制得各种均烯丙基醇和均苄基醇。该碘化物也是从醛或酮形成石aco醇的非常好的试剂。在取代的苯甲醛的情况下，该反应特别快速和选择性。还检查了各种氮官能团（亚胺，肟，硝基，偶氮，氰基）对SmI 2的反应性。

  DOI：

  10.1016/0022-328x(83)85053-0

文献信息

• Some organic reactions promoted by samarium diiodide
  作者：J. Souppe、L. Danon、J.L. Namy、H.B. Kagan

  DOI：10.1016/0022-328x(83)85053-0

  日期：1983.7

  Various homoallylic alcohols and homobenzylic alcohols were prepared by the reaction between aldehydes and allylic or benzylic halides in the presence of samarium diiodide. This iodide is also a very good reagent for formation of pinacols from aldehydes or ketones. The reactions are especially fast and selective in the case of substituted benzaldehydes. The reactivities of various nitrogen functional

  在二碘化sa存在下，醛与烯丙基或苄基卤化物之间的反应可制得各种均烯丙基醇和均苄基醇。该碘化物也是从醛或酮形成石aco醇的非常好的试剂。在取代的苯甲醛的情况下，该反应特别快速和选择性。还检查了各种氮官能团（亚胺，肟，硝基，偶氮，氰基）对SmI 2的反应性。
• Selectivity in Organic Group Transfer in Reactions of Mixed Diorganomanganese(II) and Triorganomanganate(II) with 2-Cyclohexen-1-one or Cyclohexanecarbaldehyde
  作者：Hideki Yorimitsu、Yasuhiro Hayashi、Jun Tang、Hiroshi Shinokubo、Koichiro Oshima

  DOI：10.1246/bcsj.70.2297

  日期：1997.9

  The unsymmetrical diorganomanganeses(II) (R1R2Mn) and magnesium triorganomanganates(II) (R12R2MnMgX) reacted with 2-cyclohexen-1-one to produce the 1,4-addition products in moderate to good yields. The approximate reactivity order obtained from the product distribution was CH2=CHCH2 > PhS > n-Bu > Ph > Me, Me3SiCH2, n-C6H13–C≡C. In contrast, the reactivity order for the addition of these reagents to

  不对称二有机锰 (II) (R1R2Mn) 和三有机锰酸镁 (II) (R12R2MnMgX) 与 2-环己烯-1-one 反应生成 1,4-加成产物，收率适中。从产物分布获得的近似反应性顺序为 CH2=CHCH2 > PhS > n-Bu > Ph > Me、Me3SiCH2、n-C6H13–C≡C。相比之下，将这些试剂添加到环己烷甲醛的反应顺序是 CH2=CHCH2 > Ph > Me > n-Bu > n-C6H13C≡C > Me3SiCH2。
• Efficient formation of pinacols from aldehydes or ketones mediated by samarium diiodide
  作者：J.L. Namy、J. Souppe、H.B. Kagan

  DOI：10.1016/s0040-4039(00)81521-x

  日期：1983.1
• HIGHLY HINDERED STILBENES
  作者：REYNOLD C. FUSON、J. J. DENTON、CHRIS E. BEST

  DOI：10.1021/jo01189a011

  日期：1943.1
• 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