3-acetoxy-6-hydroxy-2,4,5-trimethylbenzyl chloride | 18910-34-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 3-acetoxy-6-hydroxy-2,4,5-trimethylbenzyl chloride
• 英文别名: 4-acetoxy-2-(chloromethyl)-3,5,6-trimethylphenol；4-acetoxy-2-chloromethyl-3,5,6-trimethyl-phenol；Essigsaeure-(4-hydroxy-2.5.6-trimethyl-3-chlormethyl-phenylester)；6-Hydroxy-3-acetoxy-2.4.5-trimethyl-1-chlormethyl-benzol；(4-Hydroxy-2.5.6-trimethyl-3-chlormethyl-phenyl)-acetat；4-Acetoxy-2-chlormethyl-3,5,6-trimethyl-phenol；[3-(Chloromethyl)-4-hydroxy-2,5,6-trimethylphenyl] acetate
• CAS: 18910-34-4
• 化学式: C₁₂H₁₅ClO₃
• 分子量: 242.702
• InChiKey: ILGKKGOJFDQZKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-acetoxy-6-hydroxy-2,4,5-trimethylbenzyl chloride 在 sodium hydroxide 、 乙醚 作用下， 生成 6-acetoxy-3-acetyl-5,7,8-trimethyl-chroman-2-one
  参考文献：
  名称：

  3-Acetoxy-6-hydroxy-2,4,5-trimethylbenzylacetoacetic Ester, and its Transformation into Chromene and Chroman Derivatives¹

  摘要：

  DOI：

  10.1021/ja01254a055
• 作为产物：
  描述：

  聚合甲醛 、 (4-乙酰氧基-2,3,6-三甲基-苯基)乙酸酯 在 盐酸 作用下， 生成 3-acetoxy-6-hydroxy-2,4,5-trimethylbenzyl chloride
  参考文献：
  名称：

  The Structure of the Chloromethylation Product of Trimethylhydroquinone Diacetate¹

  摘要：

  DOI：

  10.1021/ja01255a015

文献信息

• Benzylaminoethoxybenzene derivatives, production thereof and use thereof
  申请人：Japan Tobacco Inc.

  公开号：US05624961A1

  公开（公告）日：1997-04-29

  Novel benzylaminoethoxybenzene derivatives of the formula (I) ##STR1## wherein R.sup.1 is a hydrogen atom, a lower alkyl, a lower hydroxyalkyl, a lower alkoxyalkyl, an allyl or a benzyl; R.sup.2 is a hydrogen atom, a lower alkyl, a lower acyl, an allyl or a benzyl; R.sup.3 is a hydrogen atom, a lower alkyl, a lower alkoxyalkyl, a lower dialkylaminoalkyl or a lower acyl; and R.sup.4 is a hydrogen atom, a halogen atom, a lower alkoxy, an amino, a lower acylamino, a hydroxy, a lower acyloxy, a lower acyl, a carboxy or a lower alkoxycarbonyl, salts thereof and solvates thereof. An .alpha..sub.1 -adrenoceptor blocker obtained from this compound has a strong .alpha..sub.1 -adrenoceptor blocking effect and causes less side effects such as orthostatic hypotension.

  新的苯基氨乙氧基苯衍生物的化学式（I）如下：其中R.sup.1是氢原子，较低的烷基，较低的羟基烷基，较低的烷氧基烷基，烯丙基或苄基；R.sup.2是氢原子，较低的烷基，较低的酰基，烯丙基或苄基；R.sup.3是氢原子，较低的烷基，较低的烷氧基烷基，较低的二烷基氨基烷基或较低的酰基；R.sup.4是氢原子，卤原子，较低的烷氧基，氨基，较低的酰胺基，羟基，较低的乙酰氧基，较低的酰基，羧基或较低的烷氧羰基，其盐和溶剂化合物。从这种化合物中获得的α1-肾上腺素受体阻滞剂具有强大的α1-肾上腺素受体阻滞作用，并且引起较少的副作用，如直立性低血压。
• Process for the preparation of chroman derivatives
  申请人：Lonza AG

  公开号：US06020504A1

  公开（公告）日：2000-02-01

  Chroman derivatives of the general formula: ##STR1## in which R.sup.1 is hydrogen or C.sub.1-4 -alkyl; R.sup.2 is C.sub.1-6 -alkyl, C.sub.3-6 -cycloalkyl, optionally substituted aryl or optionally substituted aryl-C.sub.1-6 -alkyl; R.sup.3, R.sup.5 and R.sup.6 independently of one another are hydrogen, halogen, C.sub.1-4 -alkyl or optionally substituted aryl; and R.sup.4 is C.sub.1-6 -alkyl, C.sub.3-6 -cycloalkyl, (C.sub.1-6 -alkoxy)methyl, optionally substituted aryl, optionally substituted aryl-C.sub.1-6 -alkyl, C-alkanoyl or optionally substituted aroyl, are obtained from hydroquinone derivatives and alkenes in the presence of Lewis acids. The chroman derivatives (I) are intermediates in the synthesis of pharmaceutical active ingredients, for example, of hypolipidemics.

  通式为：##STR1##的Chroman衍生物，其中R.sup.1是氢或C.sub.1-4-烷基; R.sup.2是C.sub.1-6-烷基，C.sub.3-6-环烷基，可选取代芳基或可选取代芳基-C.sub.1-6-烷基; R.sup.3、R.sup.5和R.sup.6互相独立地是氢，卤素，C.sub.1-4-烷基或可选取代芳基; 而R.sup.4是C.sub.1-6-烷基，C.sub.3-6-环烷基，(C.sub.1-6-烷氧基)甲基，可选取代芳基，可选取代芳基-C.sub.1-6-烷基，C-烷酰基或可选取代的芳酰基，是通过在路易斯酸存在下从对苯二酚衍生物和烯烃中得到的。Chroman衍生物(I)是合成药物活性成分的中间体，例如降脂药。
• NOVEL BENZYLAMINOETHOXYBENZENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF
  申请人：Toyo Boseki Kabushiki Kaisha

  公开号：EP0693474A1

  公开（公告）日：1996-01-24

  A novel benzylaminoethoxybenzene derivative represented by general formula (I), a salt thereof, or a solvate thereof; wherein R¹ represents hydrogen, lower alkyl, lower hydroxyalkyl, lower alkoxyalkyl, aryl or benzyl; R² represents hydrogen, lower alkyl, lower acyl, aryl or benzyl; R³ represents hydrogen, lower alkyl, lower alkoxyalkyl, lower dialkylaminoalkyl or lower acyl; and R⁴ represents hydrogen, halogen, lower alkoxy, amino, lower acylamino, hydroxy, lower acyloxy, lower acyl, carboxy or lower alkoxycarbonyl. An alpha-1 blocker prepared from this compound has a potent blocking effect and is reduced in the side effect of orthostatic hypotension.

  一种通式(I)代表的新型苄基氨基乙氧基苯衍生物、其盐或其溶液；其中R¹代表氢、低级烷基、低级羟烷基、低级烷氧基烷基、芳基或苄基；R²代表氢、低级烷基、低级酰基、芳基或苄基；R³ 代表氢、低级烷基、低级烷氧基烷基、低级二烷基氨基烷基或低级酰基；R⁴ 代表氢、卤素、低级烷氧基、氨基、低级酰氨基、羟基、低级酰氧基、低级酰基、羧基或低级烷氧基羰基。由该化合物制备的α-1 受体阻滞剂具有强效的受体阻滞作用，并可减轻正性低血压的副作用。
• Verfahren zur Herstellung von Chromanderivaten
  申请人：LONZA A.G.

  公开号：EP0916665A1

  公开（公告）日：1999-05-19

  Chromanderivate der allgemeinen Formel worin R1 Wasserstoff oder C1-4-Alkyl; R2 C1-6-Alkyl, C3-6-Cycloalkyl, gegebenenfalls substituiertes Aryl oder gegebenenfalls substituiertes Aryl-C1-6-alkyl; R3, R5 und R6 unabhängig voneinander Wasserstoff, Halogen, C1-6-Alkyl oder gegebenenfalls substituiertes Aryl; und R4 C1-6-Alkyl, C3-6-Cycloalkyl, (C1-6-Alkoxy)methyl, gegebenenfalls substituiertes Aryl, gegebenenfalls substituiertes Aryl-C1-6-alkyl, C1-6-Alkanoyl oder gegebenenfalls substituiertes Aroyl bedeuten, werden aus Hydrochinonderivaten und Alkenen in Gegenwart von Lewis-Säuren erhalten. Die Chromanderivate (I) sind Zwischenprodukte in der Synthese von pharmazeutischen Wirkstoffen, beispielsweise von Lipidsenkern.

  通式如下的色满衍生物 其中 R1 是氢或 C1-4-烷基；R2 是 C1-6-烷基、C3-6-环烷基、任选取代的芳基或任选取代的芳基-C1-6-烷基；R3、R5 和 R6 独立地是氢、卤素、C1-6-烷基或任选取代的芳基；和 R4 是 C1-6-烷基、C3-6-环烷基、（C1-6-烷氧基）甲基、任选取代的芳基、任选取代的芳基-C1-6-烷基、C1-6-烷酰基或任选取代的芳基。铬烷衍生物 (I) 是合成活性药物成分（如降血脂药）的中间体。
• Smith et al., Journal of Organic Chemistry, 1939, vol. 4, p. 340
  作者：Smith et al.

  DOI：——

  日期：——