1-(3,6-dihydroxy-2,4-dimethyl-phenyl)-ethanone | 71582-58-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3,6-dihydroxy-2,4-dimethyl-phenyl)-ethanone
• 英文别名: 3,6-Dihydroxy-2,4-dimethyl-acetophenon；3-Acetyl-2,6-dimethyl-hydrochinon；1-(3,6-Dihydroxy-2,4-dimethylphenyl)ethanone
• CAS: 71582-58-6
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: ICBRBTDTSCVMNK-UHFFFAOYSA-N

物化性质

• 熔点：
  135–136°C
• 沸点：
  344.6±42.0 °C(Predicted)
• 密度：
  1.198±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3,6-dihydroxy-2,4-dimethyl-phenyl)-ethanone 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 3,6-Dihydroxy-2,4-dimethyl-1-(α-hydroxy-aethyl)-benzol
  参考文献：
  名称：

  Manecke,G.; Bourwieg,G., Chemische Berichte, 1963, vol. 96, p. 2013 - 2015

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二甲基-1,4-苯二酚 、 溶剂黄146 生成 1-(3,6-dihydroxy-2,4-dimethyl-phenyl)-ethanone
  参考文献：
  名称：

  Manecke,G.; Bourwieg,G., Chemische Berichte, 1963, vol. 96, p. 2013 - 2015

  摘要：

  DOI：

文献信息

• [EN] PROCESS OF SEPARATING CHIRAL ISOMERS OF CHROMAN COMPOUNDS AND THEIR DERIVATIVES AND PRECURSORS<br/>[FR] PROCÉDÉ DE SÉPARATION DES ISOMÈRES CHIRAUX DES COMPOSÉS DE CHROMANE, DE LEURS DÉRIVÉS ET PRÉCURSEURS
  申请人：DSM IP ASSETS BV

  公开号：WO2012152779A1

  公开（公告）日：2012-11-15

  The present invention relates to a process of separating chiral isomers of chroman compounds, particularly tocopherols and tocotrienols as well as the esters and intermediates thereof. It has been found that this process allows a separation of the desired isomer with a higher yield and enables the use of the non-desired isomers in a very efficient way. Said process is particularly useful when implemented in an industrial process. Furthermore, it has been found that this process allows using isomer mixtures as they result from traditional industrial synthesis.

  本发明涉及一种分离手性异构体的过程，特别是对于类胡萝卜素化合物中的生育酚和生育三烯酚以及它们的酯类和中间体。已经发现，该过程允许以更高的产率分离所需的异构体，并且能够非常有效地利用非所需的异构体。该过程在工业生产中实施时特别有用。此外，已经发现，该过程允许使用异构体混合物，因为它们是传统工业合成的结果。
• [EN] SEPARATION OF CHIRAL ISOMERS BY SFC<br/>[FR] SÉPARATION D'ISOMÈRES CHIRAUX PAR CPS
  申请人：DSM IP ASSETS BV

  公开号：WO2016188945A1

  公开（公告）日：2016-12-01

  The present invention relates to the field of separating chiral isomers from each other. Particularly, it relates to the field of separating of chiral isomers of chromane or chromene compounds, particularly tocopherols, 3,4-dehydro-tocopherols and tocotrienols, as well as the protected forms thereof. It has been found that the use of supercritical carbon dioxide as mobile phase combined with the very specific chiral phase as stationary phase leads to a very efficient separation of the individual chiral isomers. As the method is very efficient and fast combined with advantageous in view of ecology it is of big industrial interest.

  本发明涉及从彼此分离手性异构体的领域。特别是涉及将手性异构体分离的领域，尤其是对苯二酚或色酮化合物的手性异构体，特别是生育酚、3,4-脱氢生育酚和生育三烯酚，以及它们的保护形式。发现使用超临界二氧化碳作为流动相，结合非常特定的手性相作为静相，可以非常高效地分离各个手性异构体。由于该方法非常高效且快速，并且在生态方面具有优势，因此具有很大的工业利益。
• [EN] PROCESS FOR PREPARING CHIRAL QUINONE<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION DE QUINONE CHIRAL
  申请人：DSM IP ASSETS BV

  公开号：WO2013041676A1

  公开（公告）日：2013-03-28

  The present invention relates to a process of preparing tocotrienol quinones. It has been found that this process allows the formation of the R-isomer in a high yield in a very efficient and economically interesting way. Said process is particularly useful when implemented in an industrial process. Furthermore, it has been found that this process allows using isomer mixtures as they result from traditional industrial synthesis.

  本发明涉及一种制备生育三烯醇醌的工艺。发现该工艺以一种高产率、高效率和经济利益显著的方式形成R-异构体。该工艺在工业生产中实施时特别有用。此外，发现该工艺允许使用异构体混合物，这些混合物是传统工业合成的结果。
• Process for preparing chiral quinone
  申请人：DSM IP Assets B.V.

  公开号：EP2573063A1

  公开（公告）日：2013-03-27

  The present invention relates to a process of preparing tocotrienol quinones. It has been found that this process allows the formation of the R-isomer in a high yield in a very efficient and economically interesting way. Said process is particularly useful when implemented in an industrial process. Furthermore, it has been found that this process allows using isomer mixtures as they result from traditional industrial synthesis.

  本发明涉及一种制备生育三烯醇醌的过程。已发现该过程可以以高产率、高效率和经济实惠的方式形成R-异构体。当在工业过程中实施该过程时，该过程特别有用。此外，已发现该过程允许使用异构体混合物，因为它们是从传统工业合成中得出的。
• Pearce; Parker; Deason, Journal of Medicinal Chemistry, 1994, vol. 37, # 4, p. 526 - 541
  作者：Pearce、Parker、Deason、Dischino、Gillespie、Qureshi、Volk、Wright

  DOI：——

  日期：——