(4-Formyl-2-methoxyphenyl) hexanoate | 765298-67-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: (4-Formyl-2-methoxyphenyl) hexanoate
• CAS: 765298-67-7
• 化学式: C₁₄H₁₈O₄
• 分子量: 250.295
• InChiKey: DMTADBPPYTYCLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,5-二甲基-1,3-环己二酮 、 (4-Formyl-2-methoxyphenyl) hexanoate 以 乙醇 为溶剂， 反应 3.0h， 以22%的产率得到4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl caproylate
  参考文献：
  名称：

  Reaction of Long-Chain Vanillyl Esters with CH-Acids and 2-Naphthylamine

  摘要：

  The previously unknown 4-(alkyl-1-oxo-7,8,9,10,11,12-hexahydrobenzo[a]actidin-12-yl)- and 4-(alk-yl-],8'-dioxo-2,3,4,5,6,7,8,9-octahydro-]1H-xanthen-9-yl)-2-methoxyphenyl esters of aliphatic (C-5-C-7, C-12) carboxylic acids were synthesized via cascade heterocyclization of cyclohexane-1,3-dione and dimedone with 2-naphthylamine and long-chain vanillyl esters.

  DOI：

  10.1023/b:conc.0000025473.93772.9e
• 作为产物：
  描述：

  己酸 在 吡啶 、 氯化亚砜 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 1.0h， 生成 (4-Formyl-2-methoxyphenyl) hexanoate
  参考文献：
  名称：

  Preparative Synthesis of Vanillin and Vanillal Alkanoates

  摘要：

  制备香草醛及其烷酸酯的工艺流程被开发出来。

  DOI：

  10.1007/s11167-005-0242-y

文献信息

• Method of Flavoring
  申请人：YANG Xiaogen

  公开号：US20090186138A1

  公开（公告）日：2009-07-23

  A method of providing a desirable vanilla beany flavor in an orally-receivable product, includes adding to a product base at least one of divanillyl succinate or at least one compound according to Formula I or Formula II in which R′ is selected from the group consisting of hydrogen, methyl and —CHO, and R is selected from the group consisting of hydrogen. C1-C10 linear alkyl. C3-C10 branched alkyl, C2-C10 linear alkenyl, C3-C10 branched alkenyl, C1-C10 hydroxyalkyl, C2-C10 carboxyalkyl, and tetrahydrofuranyl.

  一种在口服产品中提供理想的香草豆味道的方法，包括向产品基础中添加二香草酰基琥珀酸酯或根据化学式I或化学式II中至少一种化合物，其中R′选自氢、甲基和—CHO组成的群体，R选自氢、C1-C10线性烷基、C3-C10支链烷基、C2-C10线性烯基、C3-C10支链烯基、C1-C10羟基烷基、C2-C10羧基烷基和四氢呋喃基组成的群体。
• Vanillin Esters of Aliphatic Acids in the Synthesis of 4,7-Phenanthroline Derivatives
  作者：N. G. Kozlov、K. N. Gusak、A. B. Tereshko、E. A. Dikusar

  DOI：10.1023/b:rujo.0000043718.23826.ac

  日期：2004.5

  Condensation of vanillin esters of aliphatic acids with 6-aminoquinoline and cyclic c-diketones (1,3-cyclohexanedione and dimedone) afforded new 2-methoxy-4-(11-oxo-7,8,9,10,11,12-hexahydrobenzo[b][4,7]phenanthrolin-12-yl)phenyl esters of carboxylic acids.
• ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR
  申请人：The Procter & Gamble Company

  公开号：EP2621462A1

  公开（公告）日：2013-08-07
• Oral Care Compositions With Improved Flavor
  申请人：Haught John Christian

  公开号：US20120082628A1

  公开（公告）日：2012-04-05

  Oral care compositions having improved taste, said compositions comprising: a carrier material; from about 0.001 to about 10%, by weight of the composition, of an oral care component selected from metal salts, antimicrobial agents, bad breath reduction agents, bleaching agents, surfactants, or a combination thereof; and from about 0.0001 to about 1%, by weight of the composition, of a TRPA1 agonist selected from vanillin esters; benzoate esters; hydroxybenzoate derivatives; methoxy benzoate derivatives; hydroxybutanedioate derivatives; benzamidobenzoate derivatives; methylpropanoate derivatives; phenyl acetate derivatives; hex-3-enoate derivatives; 2-(furan-2-ylmethylsulfanyl)-3-methylpyrazine; phenylmethoxymethylbenzene; (2R)-2-azaniumyl-3-[(2R)-2-azaniumyl-3-oxido-3-oxopropyl]disulfanylpropanoate; (3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal; (2R)-2-azaniumyl-3-[(2S)-2-azaniumyl-3-oxido-3-oxopropyl]disulfanylpropanoate; (3Z)-3-butylidene-2-benzofuran-1-one; 3-methyl-N-(3-methylbutyl)butan-1-imine; 2-(furan-2-ylmethyldisulfanylmethyl)furan; and combinations thereof. Uses thereof and methods of improving the taste of an oral care composition.
• US9937115B2
  申请人：——

  公开号：US9937115B2

  公开（公告）日：2018-04-10