2,4,4-triethyl-3-methyl-2',4',7-trihydroxyflavan | 189020-67-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 2,4,4-triethyl-3-methyl-2',4',7-trihydroxyflavan
• 英文别名: 4-(2,4,4-triethyl-7-hydroxy-3-methyl-3H-chromen-2-yl)benzene-1,3-diol
• CAS: 189020-67-5
• 化学式: C₂₂H₂₈O₄
• 分子量: 356.462
• InChiKey: FJNXWUPMZZDSIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 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）。
• Polyalkylhydroxychromene and process for preparing the same
  申请人：MITSUI PETROCHEMICAL INDUSTRIES, LTD.

  公开号：EP0021827A1

  公开（公告）日：1981-01-07

  A compound of the formula (1) wherein R1 and R5 each represents an alkyl group having 1 to3 3 carbon atoms; R2, R3 and R4 each represents a hydrogen atom or an alkyl group having 1 to 3 carbon atoms and wherein the bonding at the 2-3 position is a single bond and that at the 3-4 position is a double when the substitution of hydroxy group is at the 5-position or the bonding at the 2-3 position is a double bond and that at the 3-4 position is a single bond when the substitution of hydroxy group is at the 7-position:; with the proviso that R2 and R4 should not be a hydrogen atom or an alkyl group simultaneously. Such a compound can be prepared by reacting resorcinol with an aliphatic ketone or a tertiary alcohol or by thermally decomposing polyalkyl (2, 4 - dihydroxyphenyl) hydroxychroman. The compound is useful as a herbicide and fungicide and as an intermediate for preparing agricultural chemicals.

  式（1）的化合物 其中 R1 和 R5 各代表一个具有 1 至 3 个碳原子的烷基；R2、R3 和 R4 各代表一个氢原子或一个具有 1 至 3 个碳原子的烷基；当羟基的取代位于 5 位时，2-3 位的键合是单键，3-4 位的键合是双键；当羟基的取代位于 7 位时，2-3 位的键合是双键，3-4 位的键合是单键：但 R2 和 R4 不能同时为氢原子或烷基。这种化合物可以通过间苯二酚与脂肪族酮或叔醇反应，或通过热分解多烷基（2，4-二羟基苯基）羟基苯并吡喃来制备。该化合物可用作除草剂和杀真菌剂，以及制备农药的中间体。
• 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。
• COMPOUND AND CHEMICALLY AMPLIFIED RESIST COMPOSITION CONTAINING THE SAME
  申请人：Takemoto Ichiki

  公开号：US20100151379A1

  公开（公告）日：2010-06-17

  The present invention provides a compound represented by the formula (I): wherein P 1 , P 2 , P 3 , P 4 and P 5 each independently represents a hydrogen atom etc., and at least one selected from the group consisting of R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 and R 9 is the group represented by the formula (II): wherein X 1 and X 2 each independently represent a hydrogen atom etc., n represents an integer of 1 to 4, Z 1 represents a C1-C6 alkyl group etc., and ring Y represents an alicyclic hydrocarbon group, and the others each independently represent a hydrogen atom, a C1-C6 alkyl group or a hydroxyl group, and a chemically amplified resist composition containing the same.
• US4323505A
  申请人：——

  公开号：US4323505A

  公开（公告）日：1982-04-06