5-羟基-6-甲基-1-苯并呋喃-2(3H)-酮 | 78212-98-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 5-羟基-6-甲基-1-苯并呋喃-2(3H)-酮
• 英文名称: 5-hydroxy-6-methyl-3H-benzofuran-2-one
• 英文别名: 5-Hydroxy-6-methyl-3H-benzofuran-2-on；5-Hydroxy-6-methylbenzofuran-2(3H)-one；5-hydroxy-6-methyl-3H-1-benzofuran-2-one
• CAS: 78212-98-3
• 化学式: C₉H₈O₃
• mdl: MFCD00157338
• 分子量: 164.161
• InChiKey: WJCNGMOBLTZNLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-羟基-6-甲基-1-苯并呋喃-2(3H)-酮 在 吡啶 、 柠康酸酐 作用下， 生成 5-hydroxy-6-methyl-3-(4-methyl-5-oxo-5H-[2]furylidene)-3H-benzofuran-2-one
  参考文献：
  名称：

  d'羟基-二醌的转位I.l'羟基-2-二亚甲基-4,4'-二醌-3,6,3'，6'等的合成-五羟基-2,3,6,3'，6 ′-二乙氧基-4,4′-二苯醚

  摘要：

  羟基-二羟基-4,4'-二醌-3,6,3'，（XIV）等五羟基-2,3,6,3'，6'-二甲氧基-4， 4'-diphényle（XXVIII）ontétédécrites。

  DOI：

  10.1002/hlca.19560390614
• 作为产物：
  描述：

  (2,5-dihydroxy-4-methyl-phenyl)-acetic acid hydrazide 在 盐酸 作用下， 生成 5-羟基-6-甲基-1-苯并呋喃-2(3H)-酮
  参考文献：
  名称：

  d'羟基-二醌的转位I.l'羟基-2-二亚甲基-4,4'-二醌-3,6,3'，6'等的合成-五羟基-2,3,6,3'，6 ′-二乙氧基-4,4′-二苯醚

  摘要：

  羟基-二羟基-4,4'-二醌-3,6,3'，（XIV）等五羟基-2,3,6,3'，6'-二甲氧基-4， 4'-diphényle（XXVIII）ontétédécrites。

  DOI：

  10.1002/hlca.19560390614

文献信息

• Utilization of derivatives of 2,5-dihydroxyphenyl-carboxylic acids,
  申请人：L'Oreal

  公开号：US05449518A1

  公开（公告）日：1995-09-12

  A cosmetic or dermatological composition with a depigmenting action comprises derivatives of 2,5-dihydroxyphenylcarboxylic acids, their homologs, and their salts, with the derivatives having the following structural formula: ##STR1## wherein: R.sub.1 represents OR.sub.5, or ##STR2## R.sub.5 is a hydrogen atom, a linear or branched C.sub.1 -C.sub.20 alkyl radical, a linear or branched C.sub.2 -C.sub.20 alkenyl radical, or a C.sub.1 -C.sub.20 alkyl radical substituted by one or more hydroxy or alkoxy groups; r' and r", identical or different, represent a hydrogen atom, a C.sub.1 -C.sub.20 alkyl radical, a C.sub.2 -C.sub.6 hydroxyalkyl radical, or a C.sub.3 -C.sub.6 polyhydroxyalkyl, or r' and r" taken together, with the nitrogen atom, form a heterocycle; the number of carbon atoms in the --(CH.sub.2).sub.n --COR.sub.1 chain is less than or equal to 21; R.sub.2 and R.sub.3, identical or different, represent a hydrogen atom, a linear or branched C.sub.1 -C.sub.4 alkyl radical, or a C.sub.1 -C.sub.4 alkoxy; R.sub.4 represents a hydrogen atom or a linear or branched C.sub.1 -C.sub.4 alkyl radical; and n is an integer from 0 to 20, provided that, when R.sub.2 and R.sub.3 represent a hydrogen atom, n is greater than or equal to 2.

  具有脱色作用的化妆品或皮肤学组合物包括2,5-二羟基苯甲酸衍生物、它们的同系物和盐，其中衍生物具有以下结构式：##STR1## 其中：R.sub.1代表OR.sub.5，或##STR2## R.sub.5是氢原子，线性或支链的C.sub.1-C.sub.20烷基基，线性或支链的C.sub.2-C.sub.20烯基基，或被一个或多个羟基或烷氧基取代的C.sub.1-C.sub.20烷基基；r'和r"，相同或不同，代表氢原子，C.sub.1-C.sub.20烷基基，C.sub.2-C.sub.6羟基烷基，或C.sub.3-C.sub.6多羟基烷基，或r'和r"与氮原子一起形成杂环；--(CH.sub.2).sub.n--COR.sub.1链中的碳原子数小于或等于21；R.sub.2和R.sub.3，相同或不同，代表氢原子，线性或支链的C.sub.1-C.sub.4烷基基，或C.sub.1-C.sub.4烷氧基；R.sub.4代表氢原子或线性或支链的C.sub.1-C.sub.4烷基基；n是0到20的整数，但当R.sub.2和R.sub.3代表氢原子时，n大于或等于2。
• Derivatives of 2,5-dihydroxyphenylcarboxylic acid
  申请人：L'Oreal

  公开号：US05637756A1

  公开（公告）日：1997-06-10

  A cosmetic or dermatological composition with a depigmenting action comprises derivatives of 2,5-dihydroxyphenylcarboxylic acids, their homologs, and their salts, with the derivatives having the following structural formula: ##STR1## wherein: R.sub.1 represents OR.sub.5, OH, or ##STR2## R.sub.5 is a linear or branched C.sub.1 -C.sub.20 alkyl radical, a linear or branched C.sub.2 -C.sub.20 alkenyl radical, or a C.sub.1 -C.sub.20 alkyl radical substituted by one or more hydroxy or alkoxy groups; r' and r", identical or different, represent a hydrogen atom, a C.sub.1 -C.sub.20 alkyl radical, a C.sub.2 -C.sub.6 hydroxyalkyl radical, or a C.sub.3 -C.sub.6 polyhydroxyalkyl, or r' and r" taken together, with the nitrogen atom, form a heterocycle; the number of carbon atoms in the --(CH.sub.2).sub.n --COR.sub.1 chain is less than or equal to 21; R.sub.2 and R.sub.3, identical or different, represent a hydrogen atom, a linear or branched C.sub.1 -C.sub.4 alkyl radical, or a C.sub.1 -C.sub.4 alkoxy; R.sub.4 represents a hydrogen atom or a linear or branched C.sub.1 -C.sub.4 alkyl radical; and n is an integer from 0 to 20, provided that, when R.sub.2 and R.sub.3 represent a hydrogen atom, n is greater than or equal to 2.

  具有脱色作用的化妆品或皮肤科学组合物包括2,5-二羟基苯甲酸衍生物，它们的同系物以及它们的盐，其中衍生物具有以下结构式：##STR1## 其中：R.sub.1代表OR.sub.5，OH或##STR2## R.sub.5是线性或支链C.sub.1-C.sub.20烷基基团，线性或支链C.sub.2-C.sub.20烯基基团或一个C.sub.1-C.sub.20烷基基团，它被一个或多个羟基或烷氧基取代；r'和r"，相同或不同，代表氢原子，C.sub.1-C.sub.20烷基基团，C.sub.2-C.sub.6羟基烷基基团或C.sub.3-C.sub.6多羟基烷基，或r'和r"与氮原子一起形成杂环；--(CH.sub.2).sub.n --COR.sub.1链中的碳原子数小于或等于21；R.sub.2和R.sub.3，相同或不同，代表氢原子，线性或支链C.sub.1-C.sub.4烷基基团或C.sub.1-C.sub.4烷氧基；R.sub.4代表氢原子或线性或支链C.sub.1-C.sub.4烷基基团；n是0到20的整数，但当R.sub.2和R.sub.3表示氢原子时，n大于或等于2。
• Derivatives of 2,5-dihydroxyphenylcarboxylic acids, and their
  申请人：L'Oreal

  公开号：US05667792A1

  公开（公告）日：1997-09-16

  A cosmetic or dermatological composition with a depigmenting action comprises derivatives of 2,5-dihydroxyphenylcarboxylic acids, their homologs, and their salts, with the derivatives having the following structural formula: ##STR1## wherein: R.sub.1 represents OR.sub.5, OH, or ##STR2## R.sub.5 is a linear or branched C.sub.1 -C.sub.20 alkyl radical, a linear or branched C.sub.2 -C.sub.20 alkenyl radical, or a C.sub.1 -C.sub.20 alkyl radical substituted by one or more hydroxy or alkoxy groups; r' and r", identical or different, represent a hydrogen atom, a C.sub.1 -C.sub.20 alkyl radical, a C.sub.2 -C.sub.6 hydroxyalkyl radical, or a C.sub.3 -C.sub.6 polyhydroxyalkyl, or r' and r" taken together, with the nitrogen atom, form a heterocycle; the number of carbon atoms in the --(CH.sub.2).sub.n --COR.sub.1 chain is less than or equal to 21; R.sub.2 and R.sub.3, identical or different, represent a hydrogen atom, a linear or branched C.sub.1 -C.sub.4 alkyl radical, or a C.sub.1 -C.sub.4 alkoxy; R.sub.4 represents a hydrogen atom or a linear or branched C.sub. -C.sub.4 alkyl radical; and n is an integer from 0 to 20, provided that, when R.sub.2 and R.sub.3 represent a hydrogen atom, n is greater than or equal to 2.

  具有脱色作用的化妆品或皮肤科学组合物包括2,5-二羟基苯甲酸衍生物，它们的同系物和它们的盐，其中衍生物具有以下结构式：##STR1## 其中：R.sub.1代表OR.sub.5，OH或##STR2## R.sub.5是线性或支链C.sub.1-C.sub.20烷基基团，线性或支链C.sub.2-C.sub.20烯基基团，或被一个或多个羟基或烷氧基取代的C.sub.1-C.sub.20烷基基团; r'和r"，相同或不同，代表氢原子，C.sub.1-C.sub.20烷基基团，C.sub.2-C.sub.6羟基烷基基团，或C.sub.3-C.sub.6多羟基烷基，或r'和r"与氮原子一起形成杂环；--（CH.sub.2）.sub.n--COR.sub.1链中的碳原子数小于或等于21；R.sub.2和R.sub.3，相同或不同，代表氢原子，线性或支链C.sub.1-C.sub.4烷基基团或C.sub.1-C.sub.4烷氧基；R.sub.4代表氢原子或线性或支链C.sub.-C.sub.4烷基基团；n是0到20的整数，但当R.sub.2和R.sub.3代表氢原子时，n大于或等于2。
• Utilization of derivatives of 2,5-dihydroxyphenylcarboxylic acids, their
  申请人：L'Oreal

  公开号：US05585105A1

  公开（公告）日：1996-12-17

  A cosmetic or dermatological composition with a depigmenting action comprises derivatives of 2,5-dihydroxyphenylcarboxylic acids, their homologs, and their salts, with the derivatives having the following structural formula: ##STR1## wherein: R.sub.1 represents OR.sub.5, OH, or ##STR2## R.sub.5 is a linear or branched C.sub.1 -C.sub.20 alkyl radical, a linear or branched C.sub.2 -C.sub.20 alkenyl radical, or a C.sub.1 -C.sub.20 alkyl radical substituted by one or more hydroxy or alkoxy groups; r' and r", identical or different, represent a hydrogen atom, a C.sub.1 -C.sub.20 alkyl radical, a C.sub.2 -C.sub.6 hydroxyalkyl radical, or a C.sub.3 -C.sub.6 polyhydroxyalkyl, or r' and r" taken together, with the nitrogen atom, form a heterocycle; the number of carbon atoms in the --(CH.sub.2).sub.n --COR.sub.1 chain is less than or equal to 21; R.sub.2 and R.sub.3, identical or different, represent a hydrogen atom, a linear or branched C.sub.1 -C.sub.4 alkyl radical, or a C.sub.1 -C.sub.4 alkoxy; R.sub.4 represents a hydrogen atom or a linear or branched C.sub.1 -C.sub.4 alkyl radical; and n is an integer from 0 to 20, provided that, when R.sub.2 and R.sub.3 represent a hydrogen atom, n is greater than or equal to 2.

  具有脱色作用的化妆品或皮肤科学组合物包括2,5-二羟基苯甲酸衍生物、它们的同系物和它们的盐，其中衍生物具有以下结构式：##STR1##其中：R.sub.1代表OR.sub.5，OH或##STR2## R.sub.5是线性或支链C.sub.1-C.sub.20烷基基团，线性或支链C.sub.2-C.sub.20烯基基团，或被一个或多个羟基或烷氧基取代的C.sub.1-C.sub.20烷基基团; r'和r"，相同或不同，代表氢原子，C.sub.1-C.sub.20烷基基团，C.sub.2-C.sub.6羟基烷基基团，或C.sub.3-C.sub.6多羟基烷基，或r'和r"与氮原子一起形成杂环; --(CH.sub.2).sub.n --COR.sub.1链中的碳原子数小于或等于21; R.sub.2和R.sub.3，相同或不同，代表氢原子，线性或支链C.sub.1-C.sub.4烷基基团，或C.sub.1-C.sub.4烷氧基; R.sub.4代表氢原子或线性或支链C.sub.1-C.sub.4烷基基团; n是0到20的整数，条件是当R.sub.2和R.sub.3代表氢原子时，n大于或等于2。
• Utilization of derivatives of 2,5 dihydroxyphenyl-carboxylic acid amides
  申请人：L'Oreal

  公开号：US05587173A1

  公开（公告）日：1996-12-24

  A cosmetic or dermatological composition with a depigmenting action comprises derivatives of 2,5-dihydroxyphenylcarboxylic acids, their homologs, and their salts, with the derivatives having the following structural formula: ##STR1## wherein: R.sub.1 represents OR.sub.5, OH, or ##STR2## R.sub.5 is a linear or branched C.sub.1 -C.sub.20 alkyl radical, a linear or branched C.sub.2 -C.sub.20 alkenyl radical, or a C.sub.1 -C.sub.20 alkyl radical substituted by one or more hydroxy or alkoxy groups; r' and r", identical or different, represent a hydrogen atom, a C.sub.1 -C.sub.20 alkyl radical, a C.sub.2 -C.sub.6 hydroxyalkyl radical, or a C.sub.3 -C.sub.6 polyhydroxyalkyl, or r' and r" taken together, with the nitrogen atom, form a heterocycle; the number of carbon atoms in the --(CH.sub.2).sub.n --COR.sub.1 chain is less than or equal to 21; R.sub.2 and R.sub.3, identical or different, represent a hydrogen atom, a linear or branched C.sub.1 -C.sub.4 alkyl radical, or a C.sub.1 -C.sub.4 alkoxy; R.sub.4 represents a hydrogen atom or a linear or branched C.sub.1 -C.sub.4 alkyl radical; and n is an integer from 0 to 20, provided that, when R.sub.2 and R.sub.3 represent a hydrogen atom, n is greater than or equal to 2.

  具有美白作用的化妆品或皮肤科组合物包括2,5-二羟基苯甲酸衍生物，它们的同系物和它们的盐，其中衍生物具有以下结构式：##STR1## 其中：R.sub.1代表OR.sub.5，OH或##STR2## R.sub.5是线性或支链C.sub.1-C.sub.20烷基基团，线性或支链C.sub.2-C.sub.20烯基基团或一个C.sub.1-C.sub.20烷基基团，被一个或多个羟基或烷氧基取代；r'和r"相同或不同，代表氢原子，C.sub.1-C.sub.20烷基基团，C.sub.2-C.sub.6羟基烷基基团或C.sub.3-C.sub.6多羟基烷基，或r'和r"与氮原子一起形成一个杂环；--(CH.sub.2).sub.n --COR.sub.1链中的碳原子数小于或等于21；R.sub.2和R.sub.3相同或不同，代表氢原子，线性或支链C.sub.1-C.sub.4烷基基团或C.sub.1-C.sub.4烷氧基；R.sub.4代表氢原子或线性或支链C.sub.1-C.sub.4烷基基团；n是0到20的整数，但当R.sub.2和R.sub.3代表氢原子时，n大于或等于2。