3-hydroxy-4-methoxy-benzyl acetate | 63867-04-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-hydroxy-4-methoxy-benzyl acetate
• 英文别名: 3-hydroxy-4-methoxybenzyl acetate；5-acetoxymethyl-2-methoxyphenol；2-Hydroxy-4-methoxybenzylacetat；Phenol, 2-methoxy-5-acetoxymethyl-；(3-hydroxy-4-methoxyphenyl)methyl acetate
• CAS: 63867-04-9
• 化学式: C₁₀H₁₂O₄
• 分子量: 196.203
• InChiKey: LVFKEUTXZVOLOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  306.3±27.0 °C(Predicted)
• 密度：
  1.191±0.06 g/cm3(Predicted)
• 保留指数：
  1640

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-hydroxy-4-methoxy-benzyl acetate 在 sodium tetrahydroborate 、 nickel dichloride 作用下， 以 甲醇 为溶剂， 反应 0.17h， 以86%的产率得到2-甲氧基-5-甲基苯酚
  参考文献：
  名称：

  He, Yun; Pan, Xinfu; Zhao, He, Synthetic Communications, 1989, vol. 19, # 17, p. 3051 - 3054

  摘要：

  DOI：
• 作为产物：
  描述：

  5-acetoxymethyl-2-methoxyphenyl acetate 在 phosphate buffer 、 pig liver acetone 作用下， 以 丙酮 为溶剂， 反应 3.0h， 生成 3-hydroxy-4-methoxy-benzyl acetate
  参考文献：
  名称：

  脂肪酶催化羟烷基酚的化学选择性单乙酰化，并从其二乙酸酯化学选择性去除单个乙酰基

  摘要：

  已证明，吸附在硅藻土上的洋葱假单胞菌PS脂肪酶具有催化各种羟烷基酚的化学选择性单乙酰化或从相应的乙酸盐中化学选择去除单个乙酰基的能力。

  DOI：

  10.1016/s0957-4166(98)00285-7

文献信息

• A novel silver nanoparticle embedded mesoporous polyaniline (mPANI/Ag) nanocomposite as a recyclable catalyst in the acylation of amines and alcohols under solvent free conditions
  作者：Usha Mandi、Anupam Singha Roy、Biplab Banerjee、Sk. Manirul Islam

  DOI：10.1039/c4ra06182a

  日期：——

  Highly dispersed silver nanoparticles (Ag NPs) have been embedded into a mesoporous organic polymer (mPANI) and the material showed high catalytic activity in the acylation of amines and alcohols using acetic acid.

  高度分散的银纳米颗粒（Ag NPs）已嵌入到介孔有机聚合物（mPANI）中，该材料在使用乙酸对胺和醇进行酰化反应时表现出高催化活性。
• Lipase-catalysed chemoselective monoacetylation of hydroxyalkylphenols and chemoselective removal of a single acetyl group from their diacetates
  作者：Pietro Allevi、Pierangela Ciuffreda、Alessandra Longo、Mario Anastasia

  DOI：10.1016/s0957-4166(98)00285-7

  日期：1998.8

  It was demonstrated that Pseudomonas cepacia PS lipase adsorbed on Celite, has the ability to catalyse the chemoselective monoacetylation of various hydroxyalkylphenols or the chemoselective removal of a single acetyl group from the corresponding acetate.

  已证明，吸附在硅藻土上的洋葱假单胞菌PS脂肪酶具有催化各种羟烷基酚的化学选择性单乙酰化或从相应的乙酸盐中化学选择去除单个乙酰基的能力。
• SUBSTITUTED BENZYL ESTER DERIVATIVE AND USE THEREOF
  申请人：AMINO Yusuke

  公开号：US20090203774A1

  公开（公告）日：2009-08-13

  The present invention relates to a pharmaceutical composition, a food composition or a cosmetic composition, containing one or more kinds of a compound represented by the following formula (I′) wherein R1 is a hydrogen atom, a hydroxyl group, a methoxy group or an ethoxy group, R2 is a hydroxyl group, a methoxy group or an acetoxy group, or R1 and R2 in combination optionally form a methylenedioxy group, R is represented by the following formula wherein Y is an ethylene group or a vinylene group, m and n are each an integer of 0 to 7, which satisfy m+n=2 to 8, and R3 and R4 are each independently a hydrogen atom, a methyl group or an ethyl group, provided that, (1) when R1 is a methoxy group, then R2 is not a hydroxyl group; and (2) when R1 is a hydroxyl group, then R2 is not a hydroxyl group and an acetoxy group. According to the present invention, a stable capsinoid derivative is provided, and a pharmaceutical composition, a food composition, a cosmetic composition and the like containing the derivative as an active ingredient can be provided.

  本发明涉及一种药物组成物、食品组成物或化妆品组成物，含有下式（I'）所表示的一种或多种化合物，其中R1是氢原子、羟基、甲氧基或乙氧基，R2是羟基、甲氧基或乙酰氧基，或者R1和R2在组合时可选地形成一个亚甲二氧基基团，R由下式表示，其中Y是乙烯基或乙烯基，m和n分别是0到7的整数，满足m+n=2到8，R3和R4各自独立地是氢原子、甲基或乙基，前提是：（1）当R1是甲氧基时，则R2不是羟基；（2）当R1是羟基时，则R2不是羟基和乙酰氧基。根据本发明，提供了一种稳定的辣椒素衍生物，并可提供含有该衍生物作为活性成分的药物组成物、食品组成物、化妆品组成物等。
• Twisted Amides as Selective Acylating Agents for Hydroxyl Groups under Neutral Conditions:  Models for Activated Peptides during Enzymatic Acyl Transfer Reaction
  作者：Shinji Yamada、Takayuki Sugaki、Kazuhiro Matsuzaki

  DOI：10.1021/jo9522015

  日期：1996.1.1

  The highly twisted amide 2 served as a selective acylating agent; for dials under neutral conditions. The reaction of primary-secondary dials with 2 led to the corresponding primary alkyl monopivalates. For dials containing alcoholic and phenolic hydroxyl groups, alcoholic hydroxyl groups were selectively acylated under neutral conditions, whereas, the opposite selectivity was observed under basic conditions, similar to the cases using acyl halides or acid anhydrides. Although 1 and 3 were unreactive to alcohols, 5-10 having substituent groups at C-4 were reactive to alcohols to give the corresponding acetates or benzoates.
• Costa, Antonio; Riego, Juan Martin, Canadian Journal of Chemistry, 1987, vol. 65, p. 2327 - 2328
  作者：Costa, Antonio、Riego, Juan Martin

  DOI：——

  日期：——