methyl 3-(5-t-butyl-2,3-dimethyl-4-hydroxyphenyl)propionate | 56823-59-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 3-(5-t-butyl-2,3-dimethyl-4-hydroxyphenyl)propionate
• 英文别名: Methyl 3-(2,3-dimethyl-5-tert-butyl-4-hydroxyphenyl)propionate；methyl 3-(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)propanoate
• CAS: 56823-59-7
• 化学式: C₁₆H₂₄O₃
• 分子量: 264.365
• InChiKey: BJQUCKCRKWHYRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 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：

  methyl 3-(5-t-butyl-2,3-dimethyl-4-hydroxyphenyl)propionate 在 sodium hydroxide 作用下， 生成 phenyl 3-(5-t-butyl-2,3-dimethyl-4-hydroxyphenyl)propionate
  参考文献：
  名称：

  FR2244748

  摘要：

  公开号：
• 作为产物：
  描述：

  6-叔-丁基-2,3-二甲苯酚 、 丙烯酸甲酯（MA） 在 sodium 作用下， 生成 methyl 3-(5-t-butyl-2,3-dimethyl-4-hydroxyphenyl)propionate
  参考文献：
  名称：

  FR2244748

  摘要：

  公开号：

文献信息

• Esters of trisubstituted hydroxyphenylalkanoic acids
  申请人：Ciba-Geigy Corporation

  公开号：US03984460A1

  公开（公告）日：1976-10-05

  The compounds are esters and amides of trialkylhydroxyphenylalkanoic acid having the formula ##SPC1## Wherein R, R.sup.1 and R.sup.2 are independently lower alkyl or cycloalkyl groups, R.sup.3 is hydrogen, alkyl, cycloalkyl, alkylene, phenyl, phenyl substituted by alkyl groups, alkylthioethyl, thiobis-alkylene, alkyleneoxyalkylene, polyoxyalkylene or a polyvalent cyclic or acyclic hydrocarbon radical, R.sup.4 is hydrogen, lower alkyl, cycloalkyl, R.sup.5 is hydrogen, alkyl, phenyl, phenyl substituted with alkyl groups, alkylene, polyoxyalkylene or polyvalent cyclic or acyclic hydrocarbon radical, A is lower alkylene, m is 1 to 4 and n is 1 to 6. The ester compounds of this invention are prepared via usual esterification procedures from a suitable alcohol and an acid of the formula I ##SPC2## or an acid halide or acid anhydride thereof. The higher alkyl esters can also be prepared from the lower alkyl ester, especially the methyl ester of the above represented compounds, by transesterification with a higher alkanol. The amide compounds of this invention are prepared by usual amidation procedures by reacting a carboxylic acid of formula I or an acid chloride or anhydride or a lower alkyl ester thereof with the appropriate amine. The compounds are useful as stabilizers for organic materials, especially polyolefins, which deteriorate upon exposure to light and heat.

  这些化合物是三烷基羟基苯基丙酸的酯和酰胺，其化学式为##SPC1##其中R、R.sup.1和R.sup.2分别是较低的烷基或环烷基基团，R.sup.3是氢、烷基、环烷基、烷基烯、苯基、被烷基取代的苯基、烷基硫乙基、硫代双烷基、烷基氧基烷基、聚氧基烷基或多价环烷基或非环烷基碳氢基团，R.sup.4是氢、较低的烷基、环烷基，R.sup.5是氢、烷基、苯基、被烷基取代的苯基、烷基烯、聚氧基烷基或多价环烷基或非环烷基碳氢基团，A是较低的烷基烯，m为1至4，n为1至6。本发明的酯化合物通过通常的酯化程序从适当的醇和化学式I的酸##SPC2##或其酸卤或酸酐制备而成。较高烷基酯也可以通过与较高烷醇的酯交换反应从较低烷基酯，特别是上述化合物的甲酯制备而成。本发明的酰胺化合物通过通常的酰胺化程序制备，方法是将化学式I的羧酸或其酸氯或酸酐或其较低烷基酯与适当的胺反应。这些化合物可用作有机材料的稳定剂，特别是聚烯烃，在光线和热力作用下会恶化。
• Hindered hydroxyphenylalkanoates of thioether isopropanols
  申请人：Ciba-Geigy Corporation

  公开号：US03954839A1

  公开（公告）日：1976-05-04

  The compounds are esters having the formula ##EQU1## wherein R.sub.1 and R.sub.2 are each independently alkyl, cycloalkyl, alkylthioethyl or alkylpolyoxyalkylene, Z is oxygen or sulfur, R.sub.3 is the group ##SPC1## R.sub.4 is hydrogen, alkyl, cycloalkyl or .alpha.-methylbenzyl, R.sub.5 is alkyl or cycloalkyl, R.sub.6 is hydrogen or alkyl and, provided when R.sub.4 is hydrogen, R.sub.6 is alkyl and R.sub.5 is located on the carbon atom ortho to the hydroxyl group, and A is a covalent carbon bond or lower alkylene. The esters of this invention are prepared by usual esterification procedures from a thioether isopropanol and an acid of formula ##SPC2## Or a derivative thereof, preferably the methyl ester. The thioether isopropanols are prepared by reaction of epichlorohydrin with an alcohol or mercaptan followed by the opening of the oxirane ring with a mercaptide to give the desired thioether isopropanol. The compounds are useful as stabilizers for organic materials, especially polyolefins, which degrade upon exposure to light and heat.

  这些化合物是酯类，具有以下式子：##EQU1## 其中R.sub.1和R.sub.2各自独立地是烷基，环烷基，烷基硫基乙基或烷基聚氧烷基，Z是氧或硫，R.sub.3是基团##SPC1## R.sub.4是氢，烷基，环烷基或α-甲基苯基甲基，R.sub.5是烷基或环烷基，R.sub.6是氢或烷基，并且在R.sub.4是氢时，R.sub.6是烷基，R.sub.5位于对羟基的碳原子上，A是共价碳键或较低的烷基。本发明的酯类是通过通常的酯化程序从硫醚异丙醇和以下式子的酸或其衍生物制备而成：##SPC2## 更好的是甲酯。硫醚异丙醇是通过环氧氯丙烷与醇或巯基化合物反应，然后用巯基离子打开环氧环来得到所需的硫醚异丙醇制备的。这些化合物可用作有机材料的稳定剂，特别是聚烯烃，在光和热的作用下会降解。
• Esters and amides of trisubstituted hydroxyphenylalkanoic acids
  申请人：Ciba-Geigy Corporation

  公开号：US04049713A1

  公开（公告）日：1977-09-20

  The compounds are esters and amides of trialkylhydroxyphenylalkanoic acid having the formula ##STR1## wherein R, R.sup.1 and R.sup.2 are independently lower alkyl or cycloalkyl groups, R.sup.3 is hydrogen, alkyl, cycloalkyl, alkylene, phenyl, phenyl substituted by alkyl groups, alkylthioethyl, thiobis-alkylene, alkyleneoxyalkylene, polyoxyalkylene or a polyvalent cyclic or acyclic hydrocarbon radical, R.sup.4 is hydrogen, lower alkyl, cycloalkyl, R.sup.5 is hydrogen, alkyl, phenyl, phenyl substituted with alkyl groups, alkylene, polyoxyalkylene or polyvalent cyclic or acyclic hydrocarbon radical, A is lower alkylene, m is 1 to 4 and n is 1 to 6. The compounds are useful as stabilizers for organic materials, especially polyolefins, which deteriorate upon exposure to light and heat.

  这些化合物是三烷基羟基苯基丙酸酯和酰胺，其化学式为##STR1##其中R、R.sup.1和R.sup.2是独立的较低烷基或环烷基，R.sup.3是氢、烷基、环烷基、烷基烯、苯、被烷基取代的苯、烷基硫乙基、硫代双亚烷基、烷氧基烷基、聚氧烷基或多价环或非环烷基基团，R.sup.4是氢、较低烷基、环烷基，R.sup.5是氢、烷基、苯、被烷基取代的苯、烷基烯、聚氧烷基或多价环或非环烷基基团，A是较低烷基烯，m为1至4，n为1至6。这些化合物可用作有机材料的稳定剂，特别是聚烯烃，这些材料在光和热的作用下会恶化。
• Trisubstituted hydroxyphenylalkanoic acid ester and amide stabilized
  申请人：Ciba-Geigy Corporation

  公开号：US04093587A1

  公开（公告）日：1978-06-06

  The compounds are esters and amides of trialkylhydroxyphenylalkanoic acid having the formula ##STR1## WHEREIN R, R.sup.1 and R.sup.2 are independently lower alkyl or cycloalkyl groups, R.sup.3 is hydrogen, alkyl, cycloalkyl, alkylene, phenyl, phenyl substituted by alkyl groups, alkylthioethyl, thiobis-alkylene, alkyleneoxyalkylene, polyoxyalkylene or a polyvalent cyclic or acyclic hydrocarbon radical, R.sup.4 is hydrogen, lower alkyl, cycloalkyl, R.sup.5 is hydrogen, alkyl, phenyl, phenyl substituted with alkyl groups, alkylene, polyoxyalkylene or polyvalent cyclic or acyclic hydrocarbon radical, A is lower alkylene, m is 1 to 4 and n is 1 to 6. The ester compounds of this invention are prepared via usual esterification procedures from a suitable alcohol and an acid of the formula I ##STR2## or an acid halide or acid anhydride thereof. The higher alkyl esters can also be prepared from the lower alkyl ester, especially the methyl ester of the above represented compounds, by transesterification with a higher alkanol. The amide compounds of this invention are prepared by usual amidation procedures by reacting a carboxylic acid of formula I or an acid chloride or anhydride or a lower alkyl ester thereof with the appropriate amine. The compounds are useful as stabilizers for organic materials, especially polyolefins, which deteriorate upon exposure to light and heat.

  这些化合物是三烷基羟基苯基丙酸酯和酰胺，具有以下公式：##STR1## 其中R、R.sup.1和R.sup.2分别是低烷基或环烷基基团，R.sup.3是氢、烷基、环烷基、烷基烯、苯基、被烷基取代的苯基、烷硫乙基、硫代双烷基、烷氧烷基、聚氧烷基或多价环烷或链状碳氢基团，R.sup.4是氢、低烷基、环烷基，R.sup.5是氢、烷基、苯基、被烷基取代的苯基、烷基烯、聚氧烷基或多价环烷或链状碳氢基团，A是低烷基烷基，m为1至4，n为1至6。本发明的酯类化合物通过适当的醇和公式I的酸或其酸卤或酸酐的常规酯化程序制备。较高烷基酯也可通过与较高烷醇的酯交换反应制备，特别是通过与上述化合物的甲酯进行酯交换。本发明的酰胺化合物通过常规的酰胺化程序，通过反应公式I的羧酸或其酸氯或酐或其低烷基酯与适当的胺制备。这些化合物可用作有机材料的稳定剂，特别是聚烯烃，在光和热的作用下会恶化。
• Hindered hydroxyphenylalkanoates of thioether isopropanols and
  申请人：Ciba-Geigy Corporation

  公开号：US04071497A1

  公开（公告）日：1978-01-31

  The compounds are esters having the formula ##STR1## wherein R.sub.1 and R.sub.2 are each independently alkyl, cycloalkyl, alkylthioethyl or alkylpolyoxyalkylene, Z is oxygen or sulfur, R.sub.3 is the group ##STR2## R.sub.4 is hydrogen, alkyl, cycloalkyl or .alpha.-methylbenzyl, R.sub.5 is alkyl or cycloalkyl, R.sub.6 is hydrogen or alkyl and, provided when R.sub.4 is hydrogen, R.sub.6 is alkyl and R.sub.5 is located on the carbon atom ortho to the hydroxyl group, and A is a covalent carbon bond or lower alkylene. The esters of this invention are prepared by usual esterification procedures from a thioether isopropanol and an acid of formula ##STR3## or a derivative thereof, preferably the methyl ester. The thioether isopropanols are prepared by reaction of epichlorohydrin with an alcohol or mercaptan followed by the opening of the oxirane ring with a mercaptide to give the desired thioether isopropanol. The compounds are useful as stabilizers for organic materials, especially polyolefins, which degrade upon exposure to light and heat.

  这些化合物是具有公式## STR1 ##的酯类化合物，其中R.sub.1和R.sub.2各自独立地为烷基，环烷基，烷基硫醇乙基或烷基聚氧烷基，Z为氧或硫，R.sub.3为基团## STR2 ##，R.sub.4为氢，烷基，环烷基或α-甲基苄基，R.sub.5为烷基或环烷基，R.sub.6为氢或烷基，并且当R.sub.4为氢时，R.sub.6为烷基，R.sub.5位于对羟基的碳原子上，A为共价碳键或较低的烷基。本发明的酯类化合物是通过通常的酯化程序从硫醇异丙醇和公式## STR3 ##的酸或其衍生物制备而成，优选为甲酯。硫醇异丙醇是通过环氧氯丙烷与醇或巯基反应，然后用巯离子打开环氧环以得到所需的硫醇异丙醇而制备的。这些化合物可用作有机材料，特别是聚烯烃的稳定剂，这些材料在光照和热作用下会降解。