DL-4-羟基扁桃酸单水化合物 | 184901-84-6

• 物质功能分类: 化学试剂 - 有机试剂 - 脂肪酸
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: DL-4-羟基扁桃酸单水化合物
• 中文别名: 对羟基扁桃酸单水化合物；对羟基扁桃酸(单水化合物)；4-羟基扁桃酸一水化合物；4-羟基扁桃酸单水化合物；对羟基扁桃酸一水化合物；DL-4-羟基扁桃酸一单水化合物；对羟基扁桃酸
• 英文名称: 4-hydroxymandelic acid monohydrate
• 英文别名: hydroxy-(4-hydroxy-phenyl)-acetic acid monohydrate；4-hydroxymandelic acid hydrate；p-hydroxymandelic acid hydrate；2-Hydroxy-2-(4-hydroxyphenyl)acetic acid hydrate；2-hydroxy-2-(4-hydroxyphenyl)acetic acid;hydrate
• CAS: 184901-84-6；7198-10-9
• 化学式: C₈H₈O₄*H₂O
• 分子量: 186.164
• InChiKey: ATPBHLAWGXOMOR-UHFFFAOYSA-N

物化性质

• 熔点：
  82-85 °C(lit.)
• 溶解度：
  DMSO（少量）、甲醇（少量）、水（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.31
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  78.8
• 氢给体数：
  4
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2918199090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  DL-4-羟基扁桃酸单水化合物 生成 对羟基苯乙酸
  参考文献：
  名称：

  Process for preparing 4-hydroxyphenylacetic acid

  摘要：

  通过在较低的脂肪羧酸或含水的较低脂肪羧酸反应介质中还原4-羟基曼德酸的过程，可以制备4-羟基苯乙酸。当使用结晶的4-羟基曼德酸作为起始物质时，可以高产率地获得高质量的4-羟基苯乙酸。

  公开号：

  US04337355A1
• 作为产物：
  描述：

  乙醛酸 、 苯酚 在 盐酸 、 氢氧化钾 作用下， 以 氮 、 水 为溶剂， 生成 DL-4-羟基扁桃酸单水化合物
  参考文献：
  名称：

  Process for preparing 4-hydroxyphenylacetic acid

  摘要：

  通过在较低的脂肪羧酸或含水的较低脂肪羧酸反应介质中还原4-羟基曼德酸的过程，可以制备4-羟基苯乙酸。当使用结晶的4-羟基曼德酸作为起始物质时，可以高产率地获得高质量的4-羟基苯乙酸。

  公开号：

  US04337355A1

文献信息

• 3-(2-acyloxyethoxyphenyl)benzofuran-2-ones for use as stabilizers
  申请人：Ciba-Geigy Corporation

  公开号：US05428162A1

  公开（公告）日：1995-06-27

  Novel compounds of the formula (1), ##STR1## in which R.sub.1 is hydrogen or acyl, R.sub.2 to R.sub.5 are independently hydrogen, chloro, alkyl phenylalkyl, aryl, cycloalkyl, alkoxy, alkylthio, hydroxy, amino or substituted amino, R.sub.6 is hydrogen, R.sub.7 to R.sub.10 are independently hydrogen, alkyl or alkoxy, R.sub.17 or R.sub.19 is hydrogen or alkyl, and R.sub.18 is hydrogen, alkyl, aralkyl or aryl, are described for use as stabilizers for organic materials against thermal, oxidative or light-induced degradation.

  化合物的新颖化合物的公式（1），##STR1##其中R.sub.1是氢或酰基，R.sub.2到R.sub.5分别是氢，氯，烷基苯基烷基，芳基，环烷基，烷氧基，烷基硫基，羟基，氨基或取代氨基，R.sub.6是氢，R.sub.7到R.sub.10分别是氢，烷基或烷氧基，R.sub.17或R.sub.19是氢或烷基，R.sub.18是氢，烷基，芳基烷基或芳基，用作有机材料的稳定剂，抵抗热、氧化或光诱导降解。
• Oxadiazoanthracene compounds for the treatment of diabetes
  申请人：TransTech Pharma, LLC

  公开号：US09120813B2

  公开（公告）日：2015-09-01

  The present invention provides methods of use of oxadiazoanthracene derivatives of the formula (I) and pharmaceutically acceptable salts thereof, wherein A, B, C, R, R1, R2, R3, R4 and R5 are as herein described, and wherein said methods of use include uses for the treatment of disorders and diseases, such as diabetes.

  本发明提供了一种使用氧二氮杂蒽衍生物（I）及其药用可接受盐的方法，其中A、B、C、R、R1、R2、R3、R4和R5如本文所述，并且所述使用方法包括用于治疗疾病和疾病，如糖尿病。
• 3-(acyloxyphenyl)benzofuran-2-one stabilisers
  申请人：Ciba-Geigy Corporation

  公开号：US05488117A1

  公开（公告）日：1996-01-30

  Compounds of the formula (1) ##STR1## in which R.sub.2, R.sub.3, R.sub.4 and R.sub.5 independently of one another, are hydrogen, C.sub.1 -C.sub.25 alkyl, C.sub.7 -C.sub.9 phenylalkyl, unsubstituted or C.sub.1 -C.sub.4 alkyl-substituted phenyl, unsubstituted or C.sub.1 -C.sub.4 alkyl-substituted C.sub.5 -C.sub.8 cycloalkyl; C.sub.1 -C.sub.18 alkoxy, hydroxyl, C.sub.1 -C.sub.25 alkanoyloxy, C.sub.3 -C.sub.25 alkenoyloxy, C.sub.3 -C.sub.25 alkanoyloxy which is interrupted by oxygen, sulfur or >N--R.sub.16 ; C.sub.6 -C.sub.9 cycloalkylcarbonyloxy, benzoyloxy or C.sub.1 -C.sub.12 alkyl-substituted benzoyloxy, where R.sub.16 is hydrogen or C.sub.1 -C.sub.8 alkyl, or, furthermore, the radicals R.sub.2 and R.sub.3 or the radicals R.sub.4 and R.sub.5 together with the carbon atoms to which they are bound form a phenyl ring, R.sub.4 is additionally --(CH.sub.2).sub.n --COR.sub.11, in which n is 0, 1 or 2, R.sub.11 is hydroxyl, ##STR2## R.sub.14 and R.sub.15, independently of one another, are hydrogen or C.sub.1 -C.sub.18 alkyl, M is an r-valent metal cation and r is 1, 2 or 3, R.sub.7, R.sub.8, R.sub.9 and R.sub.10, independently of one another, are hydrogen, C.sub.1 -C.sub.4 alkyl or C.sub.1 -C.sub.4 alkoxy, with the proviso that at least one of the radicals R.sub.7, R.sub.8, R.sub.9 and R.sub.10 is hydrogen and, in the case where R.sub.3, R.sub.5, R.sub.6, R.sub.7 and R.sub.10 are hydrogen, R.sub.4 is additionally a radical of the formula (2) ##STR3## in which R.sub.2, R.sub.8 and R.sub.9 are as defined above and R.sub.1 is as defined below for m=1, and R.sub.12 and R.sub.13, independently of one another, are hydrogen, C.sub.1 -C.sub.12 alkyl or phenyl, m is 1 or 2, and, in the case where m is 1, R.sub.1 is hydrogen, C.sub.1 -C.sub.25 alkanoyl, C.sub.3 -C.sub.25 alkenoyl, C.sub.3 -C.sub.25 alkanoyl which is interrupted by oxygen, sulfur or >N--R.sub.16 ; C.sub.6 -C.sub.9 cycloalkylcarbonyl, benzoyl or C.sub.1 -C.sub.12 alkyl-substituted benzoyl, R.sub.16 is as defined above and R.sub.6 is hydrogen or a radical of the formula (3) ##STR4## in which R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.7, R.sub.8, R.sub.9 and R.sub.10 are as defined above, and, in the case where m is 2, R.sub.1 is ##STR5## in which R.sub.17 is a direct bond, C.sub.1 -C.sub.18 alkylene, C.sub.2 -C.sub.18 alkylene which is interrupted by oxygen, sulfur or >N--R.sub.16 ; C.sub.2 -C.sub.18 alkenylene, C.sub.2 -C.sub.20 alkylidene, C.sub.7 -C.sub.20 phenylalkylidene, C.sub.5 -C.sub.8 cycloalkylene, C.sub.7 -C.sub.8 bicycloalkylene or phenylene, R.sub.16 is as defined above and R.sub.6 is hydrogen, are described as stabilizers for organic materials against oxidative, thermal or light-induced degradation.

  公式（1）的化合物 ##STR1## 其中R.sub.2，R.sub.3，R.sub.4和R.sub.5独立地为氢，C.sub.1-C.sub.25烷基，C.sub.7-C.sub.9苯基烷基，未取代或C.sub.1-C.sub.4烷基取代的苯基，未取代或C.sub.1-C.sub.4烷基取代的C.sub.5-C.sub.8环烷基；C.sub.1-C.sub.18烷氧基，羟基，C.sub.1-C.sub.25脂肪酰氧基，C.sub.3-C.sub.25烯酰氧基，被氧，硫或>N--R.sub.16打断的C.sub.3-C.sub.25脂肪酰氧基；C.sub.6-C.sub.9环烷基羰氧基，苯甲酰氧基或C.sub.1-C.sub.12烷基取代的苯甲酰氧基，其中R.sub.16为氢或C.sub.1-C.sub.8烷基，或者，进一步，基团R.sub.2和R.sub.3或基团R.sub.4和R.sub.5与它们结合的碳原子一起形成苯环，R.sub.4另外为--(CH.sub.2).sub.n --COR.sub.11，其中n为0，1或2，R.sub.11为羟基，##STR2##R.sub.14和R.sub.15独立地为氢或C.sub.1-C.sub.18烷基，M为r价金属阳离子，r为1，2或3，R.sub.7，R.sub.8，R.sub.9和R.sub.10独立地为氢，C.sub.1-C.sub.4烷基或C.sub.1-C.sub.4烷氧基，但至少有一个基团R.sub.7，R.sub.8，R.sub.9和R.sub.10为氢，而且，在R.sub.3，R.sub.5，R.sub.6，R.sub.7和R.sub.10为氢的情况下，R.sub.4另外为公式（2）的基团 ##STR3## 其中R.sub.2，R.sub.8和R.sub.9如上所定义，R.sub.1如下所定义，对于m=1，R.sub.12和R.sub.13独立地为氢，C.sub.1-C.sub.12烷基或苯基，m为1或2，在m为1的情况下，R.sub.1为氢，C.sub.1-C.sub.25脂肪酰基，C.sub.3-C.sub.25烯酰基，被氧，硫或>N--R.sub.16打断的C.sub.3-C.sub.25脂肪酰基；C.sub.6-C.sub.9环烷基羰基，苯基或C.sub.1-C.sub.12烷基取代的苯基，R.sub.16如上所定义，R.sub.6为氢或公式（3）的基团 ##STR4## 其中R.sub.1，R.sub.2，R.sub.3，R.sub.4，R.sub.5，R.sub.7，R.sub.8，R.sub.9和R.sub.10如上所定义，在m为2的情况下，R.sub.1为##STR5## 其中R.sub.17为直接键，C.sub.1-C.sub.18亚烷基，被氧，硫或>N--R.sub.16打断的C.sub.2-C.sub.18亚烷基；C.sub.2-C.sub.18烯基，C.sub.2-C.sub.20烷基亚甲基，C.sub.7-C.sub.20苯基烷基亚甲基，C.sub.5-C.sub.8环烷基，C.sub.7-C.sub.8双环烷基或苯基，R.sub.16如上所定义，R.sub.6为氢，被描述为有机材料的稳定剂，用于防止氧化，热或光诱导降解。
• 3-(acyloxyphenyl)benzofuran-2-one stabilizers
  申请人：Ciba-Geigy Corporation

  公开号：US05369159A1

  公开（公告）日：1994-11-29

  Compounds of the formula (1) ##STR1## in which R.sub.2, R.sub.3, R.sub.4 and R.sub.5, independently of one another, are hydrogen, C.sub.1 -C.sub.25 alkyl, C.sub.7 -C.sub.9 phenylalkyl, unsubstituted or C.sub.1 -C.sub.4 alkyl-substituted phenyl, unsubstituted or C.sub.1 -C.sub.4 -alkly-substituted C.sub.5 -C.sub.8 cycloalkyl; C.sub.1 -C.sub.18 alkoxy, hydroxyl, C.sub.1 -C.sub.25 alkanoyloxy, C.sub.3 -C.sub.25 alkenoyloxy, C.sub.3 -C.sub.25 alkanoyloxy which is interrupted by oxygen, sulfur or >N--R.sub.16 ; C.sub.6 -C.sub.9 cycloalkylcarbonyloxy, benzoyloxy or C.sub.1 -C.sub.12 alkyl-substituted benzoyloxy, where R.sub.16 is hydrogen or C.sub.1 -C.sub.8 alkyl, or, furthermore, the radicals R.sub.2 and R.sub.3 or the radicals R.sub.4 and R.sub.5 together with the carbon atoms to which they are bound form a phenyl ring, R.sub.4 is additionally --(CH.sub.2).sub.n --COR.sub.11, in which n is 0, 1 or 2, R.sub.11 is hydroxyl, ##EQU1## C.sub.1 -C.sub.18 alkoxy or ##STR2## R.sub.14 and R.sub.15, independently of one another, are hydrogen or C.sub.1 -C.sub.18 alkyl, M is an r-valent metal cation and r is 1, 2 or 3, R.sub.7, R.sub.8, R.sub.9 and R.sub.10, independently of one another, are hydrogen, C.sub.1 -C.sub.4 alkyl or C.sub.1 -C.sub.4 alkoxy, with the proviso that at least one of the radicals R.sub.7, R.sub.8, R.sub.9 and R.sub.10 is hydrogen and, in the case where R.sub.3, R.sub.5, R.sub.6, R.sub.7 and R.sub.10 are hydrogen, R.sub.4 is additionally a radical of the formula (2) ##STR3## in which R.sub.2, R.sub.8 and R.sub.9 are as defined above and R.sub.1 is as defined below for m=1, and R.sub.12 and R.sub.13, independently of one another, are hydrogen, C.sub.1 -C.sub.12 alkyl or phenyl, m is 1 or 2, and, in the case where m is 1, R.sub.1 is hydrogen, C.sub.1 -C.sub.25 alkanoyl, C.sub.3 -C.sub.25 alkenoyl, C.sub.3 -C.sub.25 alkanoyl which is interrupted by oxygen, sulfur or >N--R.sub.16 ; C.sub.6 -C.sub.9 cycloalkylcarbonyl, benzoyl or C.sub.1 -C.sub.12 alkyl-substituted benzoyl, R.sub.16 is as defined above and R.sub.6 is hydrogen or a radical of the formula (3) ##STR4## in which R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.7, R.sub.8, R.sub.9 and R.sub.10 are as defined above, and, in the case where m is 2, R.sub.1 is ##STR5## in which R.sub.17 is a direct bond, C.sub.1 -C.sub.18 alkylene, C.sub.2 -C.sub.18 alkylene which is interrupted by oxygen, sulfur or >N--R.sub.16 ; C.sub.2 -C.sub.18 alkenylene, C.sub.2 -C.sub.20 alkylidene, C.sub.7 -C.sub.20 phenylalkylidene, C.sub.5 -C.sub.8 cycloalkylene, C.sub.7 -C.sub.8 bicycloalkylene or phenylene, R.sub.16 is as defined above and R.sub.6 is hydrogen, are described as stabilizers for organic materials against oxidative, thermal or light-induced degradation.

  公式（1）的化合物##STR1##其中R.sub.2，R.sub.3，R.sub.4和R.sub.5独立地是氢，C.sub.1-C.sub.25烷基，C.sub.7-C.sub.9苯基烷基，未取代或C.sub.1-C.sub.4烷基取代的苯基，未取代或C.sub.1-C.sub.4-烷基取代的C.sub.5-C.sub.8环烷基; C.sub.1-C.sub.18烷氧基，羟基，C.sub.1-C.sub.25烷酰氧基，C.sub.3-C.sub.25烯酰氧基，C.sub.3-C.sub.25被氧、硫或>N--R.sub.16中断的烷酰氧基; C.sub.6-C.sub.9环烷基羰氧基，苯甲酰氧基或C.sub.1-C.sub.12烷基取代的苯甲酰氧基，其中R.sub.16是氢或C.sub.1-C.sub.8烷基，此外，基团R.sub.2和R.sub.3或基团R.sub.4和R.sub.5与它们结合的碳原子一起形成苯环，R.sub.4另外是--(CH.sub.2).sub.n--COR.sub.11，其中n为0, 1或2，R.sub.11为羟基，##EQU1## C.sub.1-C.sub.18烷氧基或##STR2## R.sub.14和R.sub.15独立地是氢或C.sub.1-C.sub.18烷基，M是r价金属阳离子，r为1，2或3，R.sub.7，R.sub.8，R.sub.9和R.sub.10独立地是氢，C.sub.1-C.sub.4烷基或C.sub.1-C.sub.4烷氧基，但至少有一个基团R.sub.7，R.sub.8，R.sub.9和R.sub.10是氢，在R.sub.3，R.sub.5，R.sub.6，R.sub.7和R.sub.10为氢的情况下，R.sub.4另外是公式（2）的基团##STR3##其中R.sub.2，R.sub.8和R.sub.9如上定义，R.sub.1如下定义，当m=1时，R.sub.12和R.sub.13独立地是氢，C.sub.1-C.sub.12烷基或苯基，m为1或2，当m为1时，R.sub.1为氢，C.sub.1-C.sub.25烷酰基，C.sub.3-C.sub.25烯酰基，C.sub.3-C.sub.25被氧、硫或>N--R.sub.16中断的烷酰基; C.sub.6-C.sub.9环烷基羰基，苯基或C.sub.1-C.sub.12烷基取代的苯基，R.sub.16如上定义，R.sub.6为氢或公式（3）的基团##STR4##其中R.sub.1，R.sub.2，R.sub.3，R.sub.4，R.sub.5，R.sub.7，R.sub.8，R.sub.9和R.sub.10如上定义，在m为2的情况下，R.sub.1为##STR5##其中R.sub.17是直接键，C.sub.1-C.sub.18亚基，被氧、硫或>N--R.sub.16中断的C.sub.2-C.sub.18亚基; C.sub.2-C.sub.18烯亚基，C.sub.2-C.sub.20烷基亚基，C.sub.7-C.sub.20苯基烷基亚基，C.sub.5-C.sub.8环烷基亚基，C.sub.7-C.sub.8二环烷基或苯基，R.sub.16如上定义，R.sub.6为氢，被描述为有机材料的稳定剂，抵抗氧化、热或光诱导的降解。
• MANDELIC ACID DERIVATIVES AND PREPARATION THEREOF
  申请人：Polisetti Dharma Rao

  公开号：US20100036150A1

  公开（公告）日：2010-02-11

  The invention relates to compounds, compositions, methods of using and processes for producing optically active α-hydroxy derivatives using a combination of a chemical and biochemical methods. The process comprises reacting an ester compound with a racemic compound in the presence of an enzyme to obtain compounds (compositions and methods). The compounds produced may be useful for starting materials for physiologically active materials, functional materials and the like.

  本发明涉及一种利用化学和生物化学方法相结合制备光学活性α-羟基衍生物的化合物、组合物、使用方法和生产方法。该方法包括在酶的存在下将酯化合物与外消旋化合物反应，从而获得化合物（组合物和方法）。所制备的化合物可用作生理活性材料、功能材料等的起始材料。

表征谱图