2,5-二甲基苯-1,4-二醇苯甲酸酯 | 21111-71-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,5-二甲基苯-1,4-二醇苯甲酸酯
• 英文名称: Benzoic acid;2,5-dimethylbenzene-1,4-diol
• CAS: 21111-71-7
• 化学式: C15H16O4
• 分子量: 260.28
• InChiKey: QTNDNCDZAAZKIX-UHFFFAOYSA-N

物化性质

• 沸点：
  416.1±45.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• Process for synthesizing d-tocotrienols
  申请人：Couladouros A. Elias

  公开号：US20050124687A1

  公开（公告）日：2005-06-09

  A process of forming a d-tocotrienols from a (2S) 2-hydroxymethyl-6-hydroxy-alkylchroman compound, through reaction with a farnesyl Grignard or sulfone compound. Various methods of making the (2S) 2-hydroxymethyl-6-hydroxy-alklychroman compound are disclosed.

  一种从（2S）2-羟甲基-6-羟基-烷基香兰素化合物通过与法尼烯基格氏试剂或磺酰化合物反应形成d-生育醇的过程。公开了制备（2S）2-羟甲基-6-羟基-烷基香兰素化合物的各种方法。
• Process for synthesizing d-tocotrienols from 2-vinylchromane compound
  申请人：Couladouros A. Elias

  公开号：US20050124688A1

  公开（公告）日：2005-06-09

  A process of forming a d-tocotrienol from a (2S)-vinylchromane compound, through hydroboration of the (2S)-vinylchromane to provide an organoborane, followed by coupling the organoborane with a halogenated C-14 sidechain compound under conditions of palladium-catalyzed cross-coupling is taught. Methods for providing the (2S)-vinylchromane compound and the halogenated C-14 compound are disclosed.

  本发明教导了一种由(2S)-乙烯基铬烷化合物形成 d-生育三烯酚的工艺，通过对(2S)-乙烯基铬烷进行氢硼化合以提供有机硼烷，然后在钯催化交叉偶联条件下将有机硼烷与卤化 C-14 侧链化合物偶联。还公开了提供(2S)-乙烯基铬烷化合物和卤代 C-14 化合物的方法。
• US7038067B2
  申请人：——

  公开号：US7038067B2

  公开（公告）日：2006-05-02
• [EN] PROCESS FOR SYNTHESIZING d-TOCOTRIENOLS<br/>[FR] PROCEDE DE SYNTHESE DE D-TOCOTRIENOLS
  申请人：YASOO HEALTH INC

  公开号：WO2005035490A2

  公开（公告）日：2005-04-21

  A process of forming a d-tocotrienols from a (2S) 2-hydroxymethyl-6-­hydroxy-alkylchroman compound, through reaction with a farnesy1 Grignard or sulfone compound. Various methods of making the (2S) 2-hydroxymethyl-6-hydroxy- alklychroman compound are disclosed.
• [EN] PROCESS FOR SYNTHESIZING d-TOCOTRIENOLS FROM 2- VINYLCHROMANE COMPOUND<br/>[FR] PROCEDE DE SYNTHESE DE D-TOCOTRIENOLS A PARTIR DU COMPOSE 2-VINYLCHROMANE
  申请人：YASOO HEALTH INC

  公开号：WO2005035491A2

  公开（公告）日：2005-04-21

  A process of forming a d-tocotrienol from a (2S)-vinylchromane compound, through hydroboration of the (2S)-vinylchromane to provide an organoborane, followed by coupling the organoborane with a halogenated C-14 sidechain compound under conditions of palladium-catalyzed cross-coupling is taught. Methods for providing the (2S)-vinylchromane compound and the halogenated C-14 compound are disclosed.