4-羟基-2,3,6-三甲基乙酸苯酯 | 36592-62-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 4-羟基-2,3,6-三甲基乙酸苯酯
• 英文名称: 4-acetoxy-2,3,5-trimethylphenol
• 英文别名: 4-hydroxy-2,3,6-trimethylphenyl acetate；(4-hydroxy-2,3,6-trimethylphenyl) acetate
• CAS: 36592-62-8
• 化学式: C₁₁H₁₄O₃
• mdl: MFCD00179416
• 分子量: 194.23
• InChiKey: JFNARRJEBQBMJF-UHFFFAOYSA-N

物化性质

• 熔点：
  107.5 °C
• 沸点：
  300.4±30.0 °C(Predicted)
• 密度：
  1.114±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2915390090

反应信息

• 作为反应物：
  描述：

  4-羟基-2,3,6-三甲基乙酸苯酯 在 lithium bromide 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 Acetic acid, 2,3,6-trimethyl-4-[(3,7-dimethyl-6-octenyl)oxy]phenyl ester
  参考文献：
  名称：

  Substituted phenols and thiophenols useful as antioxidant agents

  摘要：

  本发明提供了以下结构的化合物：其中X选择自##STR2##，Y是硫、氧或亚甲基基团；Z是氢或--C(O)--(CH.sub.2).sub.m --Q，其中Q是氢或--COOH，m是整数1、2、3或4；R.sub.1是C.sub.1 -C.sub.6烷基；R.sub.2、R.sub.3和R.sub.4各自独立地是氢或C.sub.1 -C.sub.6烷基；或其立体异构体；用于治疗动脉粥样硬化和慢性炎症性疾病；用于抑制细胞因子诱导的VCAM-1和/或ICAM-1的表达；用于抑制LDL脂质的过氧化作用；用于降低血浆胆固醇；以及作为抗氧化剂化学添加剂，可用于预防有机材料的氧化恶化。

  公开号：

  US06114572A1
• 作为产物：
  描述：

  4-氨基-2,3,5-三甲基苯酚 生成 4-羟基-2,3,6-三甲基乙酸苯酯
  参考文献：
  名称：

  DE736797

  摘要：

  公开号：

文献信息

• Formation of chromanes and chromenes by using silver(I) or gold(I) salts or complexes
  申请人：DSM IP Assets B.V.

  公开号：EP2842951A1

  公开（公告）日：2015-03-04

  The present invention relates to the method of preparing chiral chromanes and chromenes in high yields by intramolecular hydroarylation of chiral aryl alkynes catalysed by either a silver(I) or gold(I) salt or complex in combination of a specific acid or by a silver(I) or gold(I) metal salt or complex having specific anion. By the hydroarylation a chromene is formed which has a chiral centre in the 2 position. The corresponding chromane is obtained by hydrogenation of the chromenes.

  本发明涉及通过手性芳基炔烃的分子内氢芳基化，在银(I)或金(I)盐或络合物的催化下，结合特定酸，或者通过具有特定阴离子的银(I)或金(I)金属盐或络合物，高产率地制备手性色酮和色烯的方法。通过氢芳基化形成了一个在2位具有手性中心的色烯。通过对色烯的加氢得到相应的色酮。
• [EN] FORMATION OF CHROMANES AND CHROMENES BY USING SILVER(I) OR GOLD(I) SALTS OR COMPLEXES<br/>[FR] FORMATION DE CHROMANES ET DE CHROMÈNES PAR UTILISATION DE SELS OU DE COMPLEXES D'ARGENT (I) OU D'OR (I)
  申请人：DSM IP ASSETS BV

  公开号：WO2015028463A1

  公开（公告）日：2015-03-05

  The present invention relates to the method of preparing chiral chromanes and chromenes in high yields by intramolecular hydroarylation of chiral aryl alkynes catalysed by either a silver(I) or gold(I) salt or complex in combination of a specific acid or by a silver(I) or gold(I) metal salt or complex having specific anion. By the hydroarylation a chromene is formed which has a chiral centre in the 2 position. The corresponding chromane is obtained by hydrogenation of the chromenes.

  本发明涉及通过由银(I)或金(I)盐或络合物催化的手性芳基炔烃的分子内氢芳基化，以高产率制备手性色酮和色烯的方法，或者通过具有特定酸的组合或具有特定阴离子的银(I)或金(I)金属盐或络合物。通过氢芳基化形成了一个在2位具有手性中心的色烯。通过对色烯的加氢得到相应的色酮。
• REGIOSELECTIVE POLYPRENYL REARRANGEMENT OF POLYPRENYL 2,3,4,5-TETRASUBSTITUTED PHENYL ETHERS PROMOTED BY BORON TRIFLUORIDE
  作者：Toyokichi Yoshizawa、Hatsunori Toyofuku、Koichi Tachibana、Toshio Kuroda

  DOI：10.1246/cl.1982.1131

  日期：1982.8.5

  ,3,5-trimethylphenols or 2,3-dimethoxy-5-methyl-6-polyprenylhydroquinones were obtained selectively by the BF3·OEt2 catalyzed polyprenyl rearrangement of polyprenyl 4-acetoxy-2,3,5-trimethylphenyl ethers or polyprenyl 2,3-dimethoxy-4-hydroxy-5-methylphenyl ethers.

  通过BF3·OEt2催化聚异戊二烯基4-乙酰氧基-2,3重排，选择性地获得4-乙酰氧基-6-聚异戊二烯基-2,3,5-三甲基苯酚或2,3-二甲氧基-5-甲基-6-聚异戊二烯基氢醌， 5-三甲基苯基醚或聚异戊二烯基 2,3-二甲氧基-4-羟基-5-甲基苯基醚。
• Benzofurans as suppressors of neurodegeneration
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US07008950B1

  公开（公告）日：2006-03-07

  A compound of the formula: wherein R1 and R2 each is H or a hydrocarbon group which may be substituted, or R1 and R2 form a 3- to 8-membered carbo or heterocyclic ring which may be substituted; R3 is H, a lower alkyl which may be substituted or an aromatic group which may be substituted; R4 is (1) an aromatic group which may be substituted, (2) an aliphatic hydrocarbon group substituted by an aromatic group which may be substituted, which hydrocarbon group may be further substituted or (3) an acyl; X and Y each is oxygen or sulfur which may be oxidized; and ring A is a benzene ring which may be further substituted, or a salt thereof, is useful for an agent for suppressing neurodegeneration.

  该化合物的化学式为：其中R1和R2分别为H或可被取代的碳氢基团，或者R1和R2形成一个3至8个成员的碳氢或杂环环，该环可能被取代；R3为H，一个可被取代的低碳基或一个可被取代的芳香基；R4为(1)一个可被取代的芳香基，(2)一个被可被取代的芳香基取代的脂肪烃基，该烃基可能被进一步取代，或者(3)一个酰基；X和Y分别为氧或硫，可能被氧化；环A为一个苯环，可能被进一步取代，或者其盐，可用作抑制神经退化的药物。
• PROCESS FOR THE MANUFACTURE OF 3,7-DIMETHYL-1-OCTEN-3-OL
  申请人：BONRATH Werner

  公开号：US20120053353A1

  公开（公告）日：2012-03-01

  The present invention is directed to a process for the manufacture of 3,7-dimethyl-1-octen-3-ol comprising the following steps: a) hydrogenation of 6-methyl-5-hepten-2-on to 6-methyl-2-heptanon in the presence of hydrogen and a palladium containing catalyst on a carrier selected from the group consisting of carbon, calcium carbonate and aluminum oxide. b) reaction of 6-methyl-2-heptanon with acetylene to 3,7-dimethyl-1-octin-3-ol in the presence of ammonia and potassium hydroxide and in the absence of any additional organic solvent; c) hydrogenation of 3,7-dimethyl-1-octin-3-ol to 3,7-dimethyl-1-octen-3-ol in the presence of hydrogen and a palladium containing catalyst on a carrier selected from the group consisting of calcium carbonate, aluminum oxide, silica, porous glass, carbon or graphite, and barium sulphate, with the proviso that the catalyst additionally contains lead when the carrier is calcium carbonate. The present invention is further directed to a process for the manufacture of isophytol and vitamin E, where a thus produced 3,7-dimethyl-1-octen-3-ol is used as starting material.

  本发明涉及一种制备3,7-二甲基-1-辛烯-3-醇的方法，包括以下步骤：a) 在氢气和含钯催化剂的载体（选自碳、碳酸钙和氧化铝组成的群体）存在下，将6-甲基-5-庚烯-2-酮加氢生成6-甲基-2-庚酮；b) 在氨和氢氧化钾存在、不添加任何额外有机溶剂的条件下，将6-甲基-2-庚酮与乙炔反应生成3,7-二甲基-1-辛炔-3-醇；c) 在氢气和含钯催化剂的载体（选自碳酸钙、氧化铝、二氧化硅、多孔玻璃、碳或石墨、硫酸钡组成的群体）存在下，将3,7-二甲基-1-辛炔-3-醇加氢生成3,7-二甲基-1-辛烯-3-醇，其中当载体为碳酸钙时，催化剂还额外含有铅。本发明还涉及一种制备异维生素E和维生素E的方法，其中以制备的3,7-二甲基-1-辛烯-3-醇作为起始物质。