6-叔-丁基-2,3-二甲苯酚 | 46170-85-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 6-叔-丁基-2,3-二甲苯酚
• 英文名称: 5,6-Dimethyl-2-tert.-butyl-phenol
• 英文别名: 2,3-dimethyl-6-tert-butyl phenol；Phenol, 6-(1,1-dimethylethyl)-2,3-dimethyl-；6-tert-butyl-2,3-dimethylphenol
• CAS: 46170-85-8
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: SIINAHBZNVOMMM-UHFFFAOYSA-N

物化性质

• 沸点：
  253.7±9.0 °C(Predicted)
• 密度：
  0.952±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2907199090

反应信息

• 作为反应物：
  描述：

  6-叔-丁基-2,3-二甲苯酚 在 sodium 、 lithium hydride 作用下， 生成 n-octadecyl 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：

  二甲酚 、 异丁烯 生成 6-叔-丁基-2,3-二甲苯酚
  参考文献：
  名称：

  邻位取代酚中羟基带的红外频率和强度

  摘要：

  已经测量了大量邻烷基苯酚的羟基基本伸缩振动的红外频率、强度和半带宽。已经发现含有单个邻烷基取代基的酚以不等量的顺式和反式异构体形式存在，反式异构体更为丰富。对于邻甲酚、2,3-二甲基苯酚和几种邻叔烷基苯酚，在 24 °C 的四氯化碳稀溶液中测量了两种异构体之间的自由能差异。

  DOI：

  10.1139/v61-056

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。
• 2,3,5-Trialkyl-4-hydroxybenzylphosphonates and phosphinates
  申请人：Ciba-Geigy Corporation

  公开号：US03962377A1

  公开（公告）日：1976-06-08

  The compounds are trialkylsubstituted hydroxybenzylphosphonates and phosphinates having the formula ##SPC1## Wherein R, R.sup.1 and R.sup.2 are independently lower alkyl or cycloalkyl groups, R.sup.3 is alkyl, alkyl substituted with one halogen atom, phenyl, phenyl substituted with alkyl groups, alkoxy, alkoxy substituted with one halogen group, phenoxy, phenoxy substituted with alkyl groups, alkylthioethoxy, alkylpolyoxyalkylenoxy, R.sup.4 is alkyl, alkylsubstituted with one halogen atom, cycloalkyl, phenyl, phenyl substituted with alkyl groups alkylthioethyl, thiobis-alkylene, alkyleneoxyalkylene, polyoxyalkylene, alkylpolyoxyalkylene, alkylene, polyvalent cyclic or acyclic hydrocarbon radical, R.sup. 5 and R.sup. 6 are independently hydrogen, alkyl of 1 to 12 carbon atoms, R.sup.6 may also be the group Ic ##SPC2## Or together R.sup.5 and R.sup.6 represent the group Id ##SPC3## R.sup.7 is hydrogen, alkyl or phenyl, A is lower alkylene and n is 1 to 4. These compounds are usually prepared by reacting the trialkylsubstituted hydroxybenzyl or hydroxyphenylalkyl halide with the appropriate trialkyl or triaryl phosphite or appropriate substituted phosphonite. The compounds are useful as stabilizers of organic materials subject to oxidative, thermal and photochemical degradation.

  这些化合物是三烷基取代的羟基苯基膦酸酯和膦酸酯，其化学式为##SPC1##其中R、R.sup.1和R.sup.2分别是独立的较低烷基或环烷基基团，R.sup.3是烷基、烷基取代一个卤素原子、苯基、苯基取代烷基基团、烷氧基、烷氧基取代一个卤素基团、苯氧基、苯氧基取代烷基基团、烷基硫醚氧基、烷基聚氧烷氧基、R.sup.4是烷基、烷基取代一个卤素原子、环烷基、苯基、苯基取代烷基基团、烷基硫乙基、硫代双亚烷基、亚烷氧基亚烷基、聚氧烷基、烷基聚氧烷基、亚烷基、多价环状或非环状碳氢基团，R.sup.5和R.sup.6独立地是氢、1至12个碳原子的烷基，R.sup.6也可以是Ic组##SPC2##或者一起R.sup.5和R.sup.6代表Id组##SPC3##R.sup.7是氢、烷基或苯基，A是较低烷基，n为1至4。这些化合物通常是通过将三烷基取代的羟基苯基或羟基苯基烷基卤化物与适当的三烷基或三芳基膦酸酯或适当取代的膦酸酯反应制备的。这些化合物可用作有机材料的稳定剂，可抵抗氧化、热降解和光化学降解。
• Production of Substituted Phenylene Aromatic Diesters
  申请人：Leung Tak W.

  公开号：US20100174105A1

  公开（公告）日：2010-07-08

  The present disclosure is directed to the production of 5-tert-butyl-3-methyl-1,2-phenylene dibenzoate and the purification thereof. Synthesis pathways for a precursor to 5-tert-butyl-3-methyl-1,2-phenylene dibenzoate are provided. The precursor is 5-tert-butyl-3-methylcatechol.

  本公开涉及生产5-叔丁基-3-甲基-1,2-苯基二苯甲酸酯及其纯化。提供了合成5-叔丁基-3-甲基-1,2-苯基二苯甲酸酯前体的途径。该前体是5-叔丁基-3-甲基邻苯二酚。
• 2,3,5-Trialkylsubstituted hydroxybenzyl isocyanurates
  申请人：Ciba-Geigy Corporation

  公开号：US04049654A1

  公开（公告）日：1977-09-20

  The compounds are 2,3,5-trialkylsubstituted hydroxy benzyl isocyanurates having the formula ##STR1## where R.sub.a is a 2,3,5-trialkylsubstituted hydroxybenzyl group of the formula II or hydrogen, and R.sub.b is a 2,3,5-trialkylsubstituted hydroxybenzyl group of formula II ##STR2## wherein R.sup.1 and R.sup.2 are alkyl or cycloalkyl groups, and R.sup.3 is hydrogen or alkyl One method for making the compounds of this invention is by reacting a 2,3,6-trialkyl-4-(dimethylamino)phenol with cyanuric acid. The compounds are useful as stabilizers of organic materials, especially polyolefins, which deteriorate upon exposure to light and heat.

  这个化合物是具有下列公式的2,3,5-三烷基取代羟基苯甲酰异氰酸酯：##STR1## 其中R.sub.a是公式II的2,3,5-三烷基取代羟基苯甲酰基或氢原子，而R.sub.b是公式II的2,3,5-三烷基取代羟基苯甲酰基：##STR2## 其中R.sup.1和R.sup.2是烷基或环烷基，而R.sup.3是氢原子或烷基。本发明的一种制备该化合物的方法是将2,3,6-三烷基-4-(二甲氨基)苯酚与三聚氰酸反应。该化合物可用作有机材料的稳定剂，特别是聚烯烃，这些材料在暴露于光和热的情况下会退化。
• Trialkylsubstituted hydroxybenzyl malonates and stabilized compositions
  申请人：Ciba-Geigy Corporation

  公开号：US04081475A1

  公开（公告）日：1978-03-28

  Compounds having the formula ##STR1## wherein R.sup.1, R.sup.2 and R.sup.3 are alkyl or cycloalkyl; R.sup.4 and R.sup.5 are alkyl or phenyl; and R is hydrogen, alkyl or a trialkylhydroxybenzyl, Are good antioxidants and thermal stabilizers. These compounds are prepared by reacting the corresponding alkylated 4-hydroxybenzyl-tert-amine with a malonate ester in the presence of an alkali metal alkoxide.

  具有以下式子的化合物 ##STR1## 其中 R.sup.1、R.sup.2 和 R.sup.3 是烷基或环烷基；R.sup.4 和 R.sup.5 是烷基或苯基；而 R 是氢、烷基或三烷基羟基苯甲基。这些化合物是良好的抗氧化剂和热稳定剂。这些化合物是通过在碱金属烷氧化物存在下，将相应的烷基化4-羟基苯甲基-叔胺与马隆酸酯反应制备而成。