3-(3-methyl-4-hydroxyphenyl)-3-methylbutyric acid | 350983-36-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-(3-methyl-4-hydroxyphenyl)-3-methylbutyric acid
• 英文别名: 3-(4-hydroxy-3-methylphenyl)-3-methylbutanoic acid
• CAS: 350983-36-7
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: CMPYJLYXVQDWKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 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：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(3-methyl-4-methoxyphenyl)-3-methylbutyric acid 在 氢溴酸 、 溶剂黄146 作用下， 生成 3-(3-methyl-4-hydroxyphenyl)-3-methylbutyric acid
  参考文献：
  名称：

  Novel arylpropyl aldehyde derivatives, processes for producing the same, and methods of using the same

  摘要：

  3-(3-甲基-4-羟基苯基)-3-甲基丁醛可以通过将羧基转化为甲醛基而从3-(3-甲基-4-羟基苯基)-3-甲基丁酸中产生。N-[N-[3-(3-甲基-4-羟基苯基)-3-甲基丁基]-L-α-天冬氨酸]-L-苯丙氨酸1-甲基酯是一种高甜度的甜味剂，可以通过与阿斯巴甜进行还原烷基化反应，从这种醛衍生物中轻松高效地制备出来，因此3-(3-甲基-4-羟基苯基)-3-甲基丁醛作为N-[N-[3-(3-甲基-4-羟基苯基)-3-甲基丁基]-L-α-天冬氨酸]-L-苯丙氨酸1-甲基酯的生产中间体非常出色。上述丁酸衍生物是一种新颖化合物，可以通过将2-甲氧基甲苯与3-甲基巴豆酸反应得到的3-(3-甲基-4-甲氧基苯基)-3-甲基丁酸经过将甲氧基转化为羟基的反应而轻松制备。本发明还提供了几种新颖的化合物，如上述醛衍生物等，用作生产中间体。

  公开号：

  US20030032842A1

文献信息

• Arylpropyl aldehyde derivatives, processes for producing the same, and methods of using the same
  申请人：Ajinomoto Co., Inc.

  公开号：US06689902B2

  公开（公告）日：2004-02-10

  3-(3-Methyl-4-hydroxyphenyl)-3-methylbutyl aldehyde may be produced from 3-(3-methyl-4-hydroxyphenyl)-3-methylbutyric acid by converting the carboxyl group into a formyl group. N-[N-[3-(3-methyl-4-hydroxyphenyl)-3-methylbutyl]-L-&agr;-aspartyl]-L-phenylalanine 1-methyl ester, which is useful as a sweetener having a high potency of sweetness, can be easily and efficiently prepared on an industrial production from such an aldehyde derivative, via a reductive alkylation reaction with aspartame. Therefore, 3-(3-Methyl-4-hydroxyphenyl)-3-methylbutyl aldehyde is extremely excellent as an intermediate for the production of N-[N-[3-(3-methyl-4-hydroxyphenyl)-3-methylbutyl]-L-&agr;-aspartyl]-L-phenylalanine 1-methyl ester. The above butyric acid derivative is a novel compound, which can be easily produced by subjecting 3-(3-methyl-4-methoxyphenyl)-3-methylbutyric acid obtained by the reaction of 2-methoxytoluene with 3-methylcrotonic acid, to a reaction for converting a methoxy group into a hydroxyl group. The present invention further provides several novel compounds useful as a production intermediate, such as the above aldehyde derivative and the like.

  3-(3-甲基-4-羟基苯基)-3-甲基丁醛可以由将3-(3-甲基-4-羟基苯基)-3-甲基丁酸的羧基转化为甲酰基而制得。N-[N-[3-(3-甲基-4-羟基苯基)-3-甲基丁基]-L-α-天冬氨酰]-L-苯丙氨酸1-甲酯是一种甜味剂，具有高甜度，可以通过与阿斯巴甜进行还原烷基化反应，从这种醛衍生物中轻松高效地工业生产。因此，3-(3-甲基-4-羟基苯基)-3-甲基丁醛非常适用于作为N-[N-[3-(3-甲基-4-羟基苯基)-3-甲基丁基]-L-α-天冬氨酰]-L-苯丙氨酸1-甲酯的生产中间体。上述丁酸衍生物是一种新型化合物，可以通过将2-甲氧基甲苯与3-甲基巴豆酸反应得到，然后进行将甲氧基转化为羟基的反应来轻松制备。本发明还提供了几种有用的生产中间体的新型化合物，例如上述醛衍生物等。
• NOVEL ARYLPROPIONALDEHYDE DERIVATIVES AND PRODUCTION AND USE OF THE SAME
  申请人：Ajinomoto Co., Inc.

  公开号：EP1249442A1

  公开（公告）日：2002-10-16

  3-(3-Methyl-4-hydroxyphenyl)-3-methylbutyl aldehyde is produced from 3-(3-methyl-4-hydroxyphenyl)-3-methylbutyric acid via a reaction for converting a carboxyl group into a formyl group. From such aldehyde derivative, via a reductive alkylation reaction with aspartame N-[N-[3-(3-methyl-4-hydroxyphenyl)-3-methylbutyl]-L-α-aspartyl]-L-phenylalanine 1-methyl ester useful as a sweetener having a high potency of sweetness can be derived easily and efficiently on an industrial production. Therefore, the derivative is extremely excellent as an intermediate for the production thereof. The above butyric acid derivative is a novel compound, which can be easily produced by subjecting 3-(3-methyl-4-methoxyphenyl)-3-methylbutyric acid obtained in the reaction of 2-methoxytoluene with 3-methylcrotonic acid, to a reaction for converting a methoxy group into a hydroxyl group. The present invention further provides several novel compounds useful as a production intermediate, such as the above aldehyde derivative and the like.

  3-(3-甲基-4-羟基苯基)-3-甲基丁醛是由 3-(3-甲基-4-羟基苯基)-3-甲基丁酸通过将羧基转化为甲酰基的反应生成的。从这种醛衍生物中，通过与阿斯巴甜的还原烷基化反应，可以方便、高效地工业化生产出 N-[N-[3-(3-甲基-4-羟基苯基)-3-甲基丁基]-L-α-天冬氨酰]-L-苯丙氨酸 1-甲酯，这种甲酯可用作甜味剂，具有很高的甜味效力。因此，该衍生物作为其生产的中间体是非常出色的。 上述丁酸衍生物是一种新型化合物，它可以通过将 2-甲氧基甲苯与 3-甲基巴豆酸反应得到的 3-(3-甲基-4-甲氧基苯基)-3-甲基丁酸与甲氧基基团转化为羟基基团的反应轻松制得。 本发明进一步提供了几种可用作生产中间体的新型化合物，如上述醛衍生物等。
• EP1249442A4
  申请人：——

  公开号：EP1249442A4

  公开（公告）日：2004-10-13
• US6689902B2
  申请人：——

  公开号：US6689902B2

  公开（公告）日：2004-02-10
• [EN] NOVEL ARYLPROPIONALDEHYDE DERIVATIVES AND PRODUCTION AND USE OF THE SAME<br/>[FR] NOUVEAUX DERIVES D'ARYLPROPIONALDEHYDE, LEUR PRODUCTION ET LEUR UTILISATION
  申请人：AJINOMOTO KK

  公开号：WO2001053243A1

  公开（公告）日：2001-07-26

  3-(3-Methyl-4-hydroxyphenyl)-3-methylbutyraldehyde can be prepared from 3-(3-methyl-4-hydroxyphenyl)-3-methylbutyric acid via the conversion of carboxyl into formyl, and this aldehyde can industrially efficiently give N-[N-[3-(3-methyl-4-hydroxyphenyl)-3-methylbutyl]-L-α-aspartyl]-L-phenylalanine 1-methyl ester useful as an intense sweetener via reductive alkylation with aspartame, thus being extremely excellent as an intermediate for the production of the ester. The above butyric acid derivative is a novel compound, which can be easily prepared by subjecting 3-(3-methyl- 4-methoxyphenyl)-3-methylbutyric acid obtained by reacting 2-methoxytoluene with 3-methylcrotonic acid to conversion of methoxy into hydroxyl. This invention further provides several other novel compounds useful as intermediates for the preparation of the above aldehyde or the like.