2,4-diethyl-4-methyl-2',4',7-trihydroxyflavan | 76790-69-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 2,4-diethyl-4-methyl-2',4',7-trihydroxyflavan
• 英文别名: 4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol
• CAS: 76790-69-7
• 化学式: C₂₀H₂₄O₄
• 分子量: 328.408
• InChiKey: DGOKBMAADFCMRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  69.9
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• A rubber composition and a vulcanizing adhesion method using the same
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0700959A1

  公开（公告）日：1996-03-13

  A rubber composition (1) which comprises:    a rubber (A) such as natural rubber, isoprene rubber and the like;    a hydroxy flavan compound (B1) of the formula (I): wherein R¹, R, R³, R⁴ and R⁵ are hydrogen or an aliphatic group and X and Y are hydrogen, hydroxy or an aliphatic group, such as 2,4,4-trimethyl-2',4',7-trihydroxyflavan (B2); and 2,2,4-trimethyl-1,2-dihydroquinoline polymer (C1) containing 1% or less by weight of a primary amine, 3% or less by weight of the monomer and 30% or more by weight of the dimer based on the total weight of the polymer, or a cromane compound (C2) which may be a novel cromane compound.

  一种橡胶组合物（1），包括：   橡胶（A），例如天然橡胶，异戊二烯橡胶等；   一种羟基黄酮化合物（B1），其化学式为（I）：其中R¹、R、R³、R⁴和R⁵为氢或脂肪基，X和Y为氢、羟基或脂肪基，例如2,4,4-三甲基-2'，4'，7-三羟基黄酮（B2）；以及含有1％或更少的一级胺，3％或更少的单体和30％或更多的二聚体的2,2,4-三甲基-1,2-二氢喹啉聚合物（C1），基于聚合物的总重量，或者是一种可为新型的环己烯化合物（C2）。
• A rubber composition and a method for producing a vulcanized rubber
  申请人：SUMITOMO CHEMICAL COMPANY LIMITED

  公开号：EP0672713A1

  公开（公告）日：1995-09-20

  A method for producing a vulcanized rubber in which a flavan compound of the formula (I) wherein R¹, R², R⁴ and R⁵ independently of one another are hydrogen or an aliphatic group having 1-6 carbon atoms, or R¹ and R², and/or R⁴ and R⁵, may form an alicyclic ring having 4-10 carbon atoms in combination, R³ is hydrogen or an aliphatic group having 1-6 carbon atoms, and X and Y independently of one another are hydrogen, hydroxy or an aliphatic group having 1-8 carbon atoms; is compounded to rubber in a kneading step at a high temperature and a rubber composition which comprises the flavan compound together with cobalt carbonate or an organic cobalt compound and a methylene donor: and the vulcanized rubber produced through the method or from the rubber composition exhibits excellent rubber properties such as high hardness and free from fuming problem.

  一种生产硫化橡胶的方法，其中含有式 (I) 的黄烷化合物 其中 R¹、R²、R⁴ 和 R⁵ 相互独立地为氢或具有 1-6 个碳原子的脂肪族基团，或 R¹ 和 R²，和/或 R⁴ 和 R⁵ 可结合形成具有 4-10 个碳原子的脂环，R³ 为氢或具有 1-6 个碳原子的脂肪族基团，X 和 Y 相互独立地为氢、羟基或具有 1-8 个碳原子的脂肪族基团；在高温下，通过捏合步骤将黄烷化合物与碳酸钴或有机钴化合物及亚甲基供体复合成橡胶：以及通过该方法或由该橡胶组合物生产的硫化橡胶具有优异的橡胶性能，例如高硬度和无发烟问题。
• Process for preparing hydroxyflavan compounds
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0688770A2

  公开（公告）日：1995-12-27

  A process for preparing a hydroxyflavan compound which comprises reacting a polyhydric phenol compound of formula (2): wherein at least one of W, X, Y and Z is hydroxy; with a ketone in the presence of (i) an acid catalyst and (ii) water and/or a seed crystal, using an organic solvent which is insoluble in water, produces the hydroxyflavan compound in high yield and with high selectivity while maintaining high conversion of the polyhydric phenol.

  一种制备羟基黄烷化合物的工艺，包括使式（2）的多水酚化合物发生反应： 其中 其中 W、X、Y 和 Z 中至少有一个是羟基； 与酮在(i)酸催化剂和(ii)水和/或籽晶存在下，使用不溶于水的有机溶剂，以高收率和高选择性生产羟基黄烷化合物，同时保持多氢苯酚的高转化率。
• US5665799A
  申请人：——

  公开号：US5665799A

  公开（公告）日：1997-09-09
• US5688871A
  申请人：——

  公开号：US5688871A

  公开（公告）日：1997-11-18