[[[3,5-二叔丁基-4-羟基苯基]甲基]硫代]乙酸 2-乙基己基酯 | 80387-97-9

• 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: [[[3,5-二叔丁基-4-羟基苯基]甲基]硫代]乙酸 2-乙基己基酯
• 中文别名: [[[3,5-二叔丁基-4-羟基苯基]甲基]硫代]乙酸2-乙基己基酯
• 英文名称: 2-ethylhexyl 2-(3,5-di-tert-butyl-4-hydroxybenzylthio)acetate
• 英文别名: 3,5-di-tert-butyl-4-hydroxybenzylmercaptoacetic acid-2-ethyl-n-hexyl ester；(((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)thio)acetic acid 2-ethylhexyl ester；2-ethylhexyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetate
• CAS: 80387-97-9
• 化学式: C₂₅H₄₂O₃S
• 分子量: 422.673
• InChiKey: SPDKDTGZSHRXIT-UHFFFAOYSA-N

物化性质

• 沸点：
  509.22°C (rough estimate)
• 密度：
  1.0147 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  29
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险类别码：
  R52/53,R43,R61

制备方法与用途

类别：有毒物品

可燃性危险特性：

• 可燃；
• 燃烧时会产生有毒硫氧化物烟雾。

储运特性：

• 应存放在通风良好、低温干燥的库房中。

灭火剂：

• 干粉、泡沫、沙土、二氧化碳或雾状水。

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 2,6-二叔丁基苯酚 、 巯基乙酸异辛酯 在 2,6-di-tert-butyl-4-(dimethylaminomethyl)phenol 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以92%的产率得到[[[3,5-二叔丁基-4-羟基苯基]甲基]硫代]乙酸 2-乙基己基酯
  参考文献：
  名称：

  Catalytic Thioalkylation of Phenols Based on Mannich‐Type Phenol

  摘要：

  A thioalkylation of phenols involving reactive phenols, aldehydes, and thiols is described under Mannich-type phenol catalysis to afford thiomethyl phenols in good yields.

  DOI：

  10.1080/00397910701462971

文献信息

• COMPOSITION AND FIRE-RETARDANT RESIN COMPOSITION
  申请人：ADEKA CORPORATION

  公开号：US20210171833A1

  公开（公告）日：2021-06-10

  A heat-resistant composition useful as a flame retardant, a flame retardant composition containing the same, and a flame-retardant resin composition are provided. The composition contains 20 to 50 parts by mass of a specific melamine salt as component (A), 50 to 80 parts by mass of a specific piperazine salt as component (B), and 1 to 50 parts by mass of a phosphoric ester compound having a specific structure as component (C), wherein the sum of the components (A) and (B) is 100 parts by mass.

  提供一种作为阻燃剂有用的耐热组合物，包含该组合物的阻燃剂组合物以及阻燃树脂组合物。该组合物包含20至50质量份的特定三聚氰胺盐作为组分（A），50至80质量份的特定哌嗪盐作为组分（B），以及1至50质量份具有特定结构的磷酸酯化合物作为组分（C），其中组分（A）和（B）的总和为100质量份。
• Process for producing phenolic thiocarboxylic esters
  申请人：Ciba-Geigy Corporation

  公开号：US04623745A1

  公开（公告）日：1986-11-18

  Compounds of the formula I ##STR1## wherein R.sup.1 and R.sup.2 independently of one another are each tert-butyl, R.sup.3 is C.sub.1 -C.sub.20 -alkyl, or C.sub.2 -C.sub.20 -alkyl interrupted by --O-- or --S--, and n is the number 1 or 2, can be obtained, with a very high degree of yield and purity, by reaction of a phenol of the formula II ##STR2## with formaldehyde and a mercaptan of the formula III R.sup.3 OOC--C.sub.n H.sub.2n --SH (III) in the presence of catalytic amounts of a primary or secondary amine. Such compounds are stabilizers for organic materials.

  公式I的化合物##STR1##其中R.sup.1和R.sup.2各自独立地为叔丁基，R.sup.3为C.sub.1-C.sub.20-烷基，或被--O--或--S--打断的C.sub.2-C.sub.20-烷基，n为数字1或2。可以通过在一级或二级胺的催化下，将公式II的酚##STR2##与甲醛和公式III的巯基酸酯反应，高产率高纯度地制备这些化合物。这些化合物是有机材料的稳定剂。
• HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS
  申请人：THE UNIVERSITY OF ROCHESTER

  公开号：EP1903873A2

  公开（公告）日：2008-04-02
• Methods to accelerate the isolation of novel cell strains from pluripotent stem cells and cells obtained thereby
  申请人：West D. Michael

  公开号：US20080070303A1

  公开（公告）日：2008-03-20

  This invention generally relates to methods to differentiate pluripotent stem cells, such as embryonic stem, embryonic germ, or embryo-derived cells, to obtain subpopulations of cells from heterogeneous mixtures of cells wherein the subpopulation of cells possess reduced differentiation potential compared to the original pluripotent stem cells and where the subpopulation is capable of being propagated.
• Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods
  申请人：Federoff Howard J.

  公开号：US20080226601A1

  公开（公告）日：2008-09-18

  Disclosed are compositions and methods for reducing the severity of a birth defect in a mammal by exposing the mammal (e.g., in utero) to a herpes virus amplicon particle comprising a cis element-flanked transgene and a sequence encoding a transposase. Upon expression, the transposase inserts the transgene into the genome of a cell (e.g., a neuron) within the mammal and the transgene expresses a polypeptide or RNA that compensates for a protein or gene defect that is causally associated with the birth defect.