8-methylnonanoic acid 2-(4-hydroxy-3-methoxyphenyl)ethyl ester | 951221-74-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 8-methylnonanoic acid 2-(4-hydroxy-3-methoxyphenyl)ethyl ester
• 英文别名: homovanillyl 8-methylnonanoate；2-(4-hydroxy-3-methoxyphenyl)ethyl 8-methylnonanoate
• CAS: 951221-74-2
• 化学式: C₁₉H₃₀O₄
• 分子量: 322.445
• InChiKey: OINIAKADXGMLCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  23
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 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：

  8-methylnonanoic acid 2-(4-hydroxy-3-methoxyphenyl)ethyl ester 、 Vanillyl decanoate 以were obtained in Examples 2 to 23 where isolation and purification的产率得到二氢辣椒素酯
  参考文献：
  名称：

  Ester derivative and use thereof

  摘要：

  以下式子（I'）所代表的化合物，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烷基团，X2是由以下式子A或B所代表的二价基团，Y是乙烯基团或乙烯基烷基团，m和n分别为0到7的整数，满足m+n=0到8，R1和R2分别独立地是氢原子、甲基基团或乙基基团，但当X1是亚甲基基团时，X2不是由式子A所代表的二价基团，当X1是乙烯基烷基团时，X2不是由式子A所代表的二价基团。该化合物是一种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、药物或食品组合物的活性成分。

  公开号：

  US08765809B2
• 作为产物：
  描述：

  8-methylnonanoic acid 、 4-羟基-3-甲氧基苯乙醇 在 novozyme 435 作用下， 反应 16.0h， 以93.2%的产率得到8-methylnonanoic acid 2-(4-hydroxy-3-methoxyphenyl)ethyl ester
  参考文献：
  名称：

  ESTER DERIVATIVE AND USE THEREOF

  摘要：

  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。

  公开号：

  US20090170942A1

文献信息

• GLYCOSIDE COMPOUND
  申请人：AJINOMOTO CO., INC.

  公开号：US20130288992A1

  公开（公告）日：2013-10-31

  Compounds of formula (I″) wherein: R 11 , R 12 , R 13 , R 14 and R 15 are hydrogen, hydroxyl, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkyl-carbonyloxy, or a G-O— group, and at least one of R 11 , R 12 , R 13 , R 14 and R 15 is a G-O— group, wherein G is a saccharide residue, X 1 is a single bond, or a methylene group, an ethylene group, a trimethylene group, a vinylene group or —CH═CH—CH 2 —, X 2 is —CO—O— or —O—CO—, p and q are integer ofs 0 to 7, and p+q=0 to 8, Y 1 is methylene, ethylene or an alkenylene group having a carbon number of 2 to 15 and 1 to 3 double bonds, and R 16 and R 17 are hydrogen, methyl or ethyl, or R 16 and R 17 form a C 3-6 cycloalkyl group, are useful as GLP-1 secretion promoting agents.

  式（I″）的化合物 其中： R11，R12，R13，R14和R15为氢，羟基，C1-6烷基，C1-6烷氧基，C1-6烷基羰氧基或G-O-基团，且R11，R12，R13，R14和R15中至少有一个是G-O-基团，其中G是糖残基， X1是单键，或亚甲基基团，乙烯基团，三亚甲基基团，乙烯基团或-CH=CH-CH2-， X2是-CO-O-或-O-CO-， p和q是0到7的整数，且p+q=0到8， Y1是亚甲基，乙烯基或碳数为2到15且具有1到3个双键的烯基基团，以及 R16和R17为氢，甲基或乙基，或R16和R17形成C3-6环烷基基团，可用作GLP-1分泌促进剂。
• 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。
• 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。
• 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。