decyl ferulate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: decyl ferulate
• 英文别名: n-Decanyl ferulate；decyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• 化学式: C₂₀H₃₀O₄
• 分子量: 334.456
• InChiKey: OAKXNYBUHYWPNB-WYMLVPIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  24
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (E)-4-ethyloxycarbonyloxy-3-methoxy decyl cinnamate 在 哌啶 作用下， 以 二氯甲烷 为溶剂， 以51%的产率得到decyl ferulate
  参考文献：
  名称：

  受自然产物启发的阿魏酸和咖啡酸的酯和酰胺，作为HIV-1逆转录酶的双重抑制剂。

  摘要：

  使用HIV-1逆转录酶（RT）相关的RNase H抑制试验作为先导，乌头叶的二氯甲烷提取物的生物引导分级分离导致分离出5个三萜（1-5）和3个3-甲氧基-4 -羟基苯基衍生物（6-8）。该分离物的结构通过1D和2D NMR实验以及ESI-MS确定。阿魏十四酸（8）显示出有趣的RNase H IC50值为12.4μM，并且由于该次生代谢产物的合成可及性，因此进行了结构-活性关系研究。合成了一系列阿魏酸和咖啡酸的酯和酰胺，其中最活跃的是N-油基咖啡酰胺，对RT相关功能，核糖核酸酶H和DNA聚合酶均显示出强大的抑制活性。

  DOI：

  10.1016/j.ejmech.2017.02.054

文献信息

• ESTER DERIVATIVE AND USE THEREOF
  申请人：AMINO Yusuke

  公开号：US20090170942A1

  公开（公告）日：2009-07-02

  A compound represented by the following formula (I′) wherein X 1 is a methylene group, an ethylene group, a trimethylene group or a vinylene group, X 2 is a divalent group represented by the following formula A or B, Y is an ethylene group or a vinylene group, m and n are each an integer of 0 to 7, which satisfy m+n=0 to 8, R1 and R2 are each independently a hydrogen atom, a methyl group or an ethyl group, provided that when X 1 is a methylene group, then X 2 is not a divalent group represented by the formula A, and when X 1 is a vinylene group, then X 2 is not a divalent group represented by the formula A. The compound is a stable capsinoid derivative, and is useful as an active ingredient of an external blood circulation enhancer or a cosmetic composition, a pharmaceutical composition, or a food composition.

  以下式(I')表示的化合物 其中X1是亚甲基基团，亚乙基基团，亚丙基基团或乙烯基基团，X2是由以下式A或B表示的二价基团， Y是亚乙基基团或乙烯基基团，m和n都是0到7的整数，满足m+n=0到8，R1和R2各自独立为氢原子，甲基基团或乙基基团，条件是当X1是亚甲基基团时，那么X2不是由式A表示的二价基团，并且当X1是乙烯基基团时，那么X2不是由式A表示的二价基团。该化合物是一种稳定的辣椒素衍生物，并且作为外周血液循环增强剂，化妆品组合物，药物组合物或食品组合物的有效成分是有用的。
• Palladium-Catalyzed Directed<i>para</i>C−H Functionalization of Phenols
  作者：Tuhin Patra、Sukdev Bag、Rajesh Kancherla、Anirban Mondal、Aniruddha Dey、Sandeep Pimparkar、Soumitra Agasti、Atanu Modak、Debabrata Maiti

  DOI：10.1002/anie.201601999

  日期：2016.6.27

  Various practical methods for the selective C−H functionalization of the ortho and recently also of the meta position of an arene have already been developed. Following our recent development of the directing‐group‐assisted para C−H functionalization of toluene derivatives, we herein report the first remote para C−H functionalization of phenol derivatives by using a recyclable silicon‐containing biphenyl‐based

  已经开发了各种实用的方法来对邻位进行选择性C-H官能化，最近还对芳烃的间位进行了官能化。继我们对甲苯衍生物的直接基团辅助对羟基官能化的最新发展之后，我们在此报告了通过使用可回收的含硅联苯基模板进行的苯酚衍生物的首次远程对羟基官能化。通过不同的合成工艺以及各种基于苯酚的天然产物的合成，说明了该策略的有效性。
• Ester derivative and use thereof
  申请人：Ajinomoto Co., Inc.

  公开号：US08212068B2

  公开（公告）日：2012-07-03

  A compound represented by the following formula (I′) wherein X1 is a methylene group, an ethylene group, a trimethylene group or a vinylene group, X2 is a divalent group represented by the following formula A or B, Y is an ethylene group or a vinylene group, m and n are each an integer of 0 to 7, which satisfy m+n=0 to 8, R1 and R2 are each independently a hydrogen atom, a methyl group or an ethyl group, provided that when X1 is a methylene group, then X2 is not a divalent group represented by the formula A, and when X1 is a vinylene group, then X2 is not a divalent group represented by the formula A. The compound is a stable capsinoid derivative, and is useful as an active ingredient of an external blood circulation enhancer or a cosmetic composition, a pharmaceutical composition, or a food composition.

  以下化合物式（I'）所表示的化合物：其中，X1为亚甲基基团、乙烯基团、三亚甲基基团或乙烯基撑链基团，X2为由以下公式A或B表示的二价基团，Y为乙烯基团或乙烯基撑链基团，m和n各为0至7的整数，满足m+n=0至8，R1和R2各独立地为氢原子、甲基基团或乙基基团，但当X1为亚甲基基团时，X2不是由公式A表示的二价基团，当X1为乙烯基撑链基团时，X2不是由公式A表示的二价基团。该化合物是稳定的辣椒素衍生物，可用作外部血液循环增强剂或化妆品组合物、药物组合物或食品组合物的活性成分。
• NOVEL ESTER DERIVATIVE AND USE THEREOF
  申请人：AMINO YUSUKE

  公开号：US20130053441A1

  公开（公告）日：2013-02-28

  A compound represented by the following formula (I′) wherein X 1 is a methylene group, an ethylene group, a trimethylene group or a vinylene group, X 2 is a divalent group represented by the following formula A or B, Y is an ethylene group or a vinylene group, m and n are each an integer of 0 to 7, which satisfy m+n=0 to 8, R1 and R2 are each independently a hydrogen atom, a methyl group or an ethyl group, provided that when X 1 is a methylene group, then X 2 is not a divalent group represented by the formula A, and when X 1 is a vinylene group, then X 2 is not a divalent group represented by the formula A. The compound is a stable capsinoid derivative, and is useful as an active ingredient of an external blood circulation enhancer or a cosmetic composition, a pharmaceutical composition, or a food composition.

  化合物的化学式如下（I′），其中X1是一个亚甲基基团，乙烯基团，三亚甲基基团或乙烯基基团，X2是由以下公式A或B表示的二价基团，Y是乙烯基团或乙烯基基团，m和n分别为0到7的整数，满足m+n=0到8，R1和R2分别是氢原子，甲基基团或乙基基团，但当X1是亚甲基基团时，X2不是由公式A表示的二价基团，当X1是乙烯基基团时，X2不是由公式A表示的二价基团。该化合物是一种稳定的辣椒素类衍生物，可用作外用血液循环增强剂或化妆品组合物、药用组合物或食品组合物的活性成分。
• Enzymatic synthesis of phenolic acid esters and steryl phenolates
  申请人：ETH Zurich

  公开号：EP2886657A1

  公开（公告）日：2015-06-24

  The present invention relates to a method for obtaining at least one steryl phenolate from at least one phenolic acid in an enzymatic process using a lipase, wherein in a first step a) the at least one phenolic acid and at least one alcohol R1-OH undergo an enzymatic esterification to at least one phenolic acid ester according to reaction scheme (III) , and in at least one second step b) the at least one phenolic acid ester and at least one sterol R2-OH undergo an enzymatic transesterification using a lipase to at least one steryl phenolate according to reaction scheme (IV)

  本发明涉及一种通过使用脂肪酶的酶法工艺从至少一种酚酸中获得至少一种甾基苯酚的方法，其中第一步 a) 至少一种酚酸和至少一种醇 R1-OH 根据反应方案 (III) 进行酶法酯化，生成至少一种酚酸酯 在至少一个第二步中，b) 至少一种酚酸酯和至少一种甾醇 R2-OH 按照反应方案 (IV) 使用脂肪酶进行酶促酯化反应，生成至少一种苯酚甾酯