2-tert-butyl-4-hydroxymethyl-6-methylphenol | 33288-10-7

• 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: 2-tert-butyl-4-hydroxymethyl-6-methylphenol
• 英文别名: 2-Tert-butyl-4-(hydroxymethyl)-6-methylphenol
• CAS: 33288-10-7
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: XPFFETROZDUIOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-tert-Butyl-6-methyl-4-methylen-cyclohexa-2,5-dienon 在 DDW 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以82%的产率得到2-tert-butyl-4-hydroxymethyl-6-methylphenol
  参考文献：
  名称：

  Covalent Modification of Proteins and Peptides by the Quinone Methide from 2-tert-Butyl-4,6-dimethylphenol:  Selectivity and Reactivity with Respect to Competitive Hydration

  摘要：

  Covalent modification of cellular nucleophiles by electrophilic metabolites has been shown to be an important pathway in the toxicological activity of many xenobiotic compounds. The p-quinone methide (4-allylidene-2,5-cyclohexadien-1-one, QM) oxidative metabolites of the 4-alkylphenols are a chemical family whose toxicology has been well described. The reactivity of the QM from 2-tert-butyl-4,6-dimethylphenol (BDMP-QM) with respect to hydration has been studied in the 3 < pH < 11 range in order to examine selectivity for competitive reaction with biological nitrogen nucleophiles. The reactivity of BDMP-QM was examined with human hemoglobin A (HbA), angiotensin-III (AIII), amino acids, and amines. Nucleophiles selectivity (k(Nu)/k(H2O)) and reactivity (k(Nu)) in aqueous solution (7 < pH < 8) for addition of these biological nucleophiles to BDMP-QM demonstrate (i) that adduct formation is competitive with hydration at low nucleophile concentrations and (ii) that proteins, peptides, and tyrosine show enhanced reactivity toward QMs, relative to simple amino acids and related compounds. All adducts were characterized by electrospray mass spectrometry (ESMS). These results provide strong evidence supporting the toxicity of QM metabolites via facile alkylation of nucleophilic nitrogen sites in proteins and peptides, even when present in low concentration in aqueous solution under physiological conditions.

  DOI：

  10.1021/jo962088y

文献信息

• Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors
  申请人：——

  公开号：US20040157890A1

  公开（公告）日：2004-08-12

  A compound of formula (I) or pharmaceutically acceptable salts and solvates thereof, for the treatment of a hPPAR mediated disease or condition. 1

  化合物公式（I）或其药学上可接受的盐和溶剂，用于治疗hPPAR介导的疾病或病况。
• Phosphorous acid compound, method for producing said compound, and use of said compound
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US10150857B2

  公开（公告）日：2018-12-11

  The present invention relates to a phosphorous acid compound represented by formula (I): wherein R1 represents a C1-8 alkyl group, a C5-8 cycloalkyl group, a C6-12 alkyl cycloalkyl group, a C7-12 aralkyl group or a C6-12 aryl group; R2 represents a hydrogen atom or a C1-3 alkyl group; and R3 represents a C3-25 alkylene group, a stabilizer for organic materials containing the phosphorous acid compound, a method for stabilizing an organic material in which the phosphorous acid compound is added to the organic material, and a stabilized organic material composition containing an organic material and the phosphorous acid ester compound.

  本发明涉及一种由式(I)表示的磷酸化合物，其中R1表示C1-8烷基、C5-8环烷基、C6-12烷基环烷基、C7-12芳基烷基或C6-12芳基；R2表示氢原子或C1-3烷基；R3表示C3-25烷基烯基，一种含有该磷酸化合物的有机材料的稳定剂，一种将该磷酸化合物添加到有机材料中稳定有机材料的方法，以及一种含有有机材料和磷酸酯化合物的稳定有机材料组合物。
• Process for the synthesis of trialkyl-tris(3,5-dialkyl-4-hydroxybenzyl) benzene
  申请人：ETHYL CORPORATION

  公开号：EP0065289A1

  公开（公告）日：1982-11-24

  Small amounts of paraformaldehyde and a carboxylic acid are added to a reaction mixture of trialkylbenzene and 3,5-dialkyl-4-hydroxybenzyl alcohol to thereby increase the yield of the product: trialkyl-tris(3,5-dialkyl-4--hydroxybenzyl)benzene. The reaction catalyst, sulfuric acid or a Friedel-Crafts catalyst, is not adversely affected by the additional ingredients.

  在三烷基苯和 3,5-二烷基-4-羟基苄醇的反应混合物中加入少量多聚甲醛和一种羧酸，从而提高产物：三烷基-三（3,5-二烷基-4-羟基苄基）苯的产率。反应催化剂（硫酸或 Friedel-Crafts 催化剂）不会受到额外成分的不利影响。
• Slow release pesticidal composition and control device, its preparation and its use
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0090446A2

  公开（公告）日：1983-10-05

  Slow release pesticidal composition comprising an intimate admixture of (a) a solid polymeric macromolecular substance, (b) a contact-pesticide having arthropodicidal action, and (c) a component acting as a carrier for the contact-pesticide, which component is incompatible with the solid polymeric marcomolecular substance.

  缓释杀虫组合物，包括以下物质的亲密混合物：(a) 一种固体聚合物大分子物质；(b) 一种具有杀节肢动物作用的接触型杀虫剂；(c) 一种用作接触型杀虫剂载体的成分，该成分与固体聚合物大分子物质不相容。
• Glycoluril derivatives as antioxidants, and processes for their production
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0078142A2

  公开（公告）日：1983-05-04

  An acetylene carbamide derivative is of the general formula (I): wherein each A is wherein R1 is hydrogen or C1-4 alkyl, and X is A or hydrogen. Five tetrakis and five tris specific compounds are named. The derivatives can be produced from an acetylene carbamide by reaction with a p-hydroxybenzyl alcohol, a dialkyldithiocarbamate, or formaldehyde and a phenol. The derivatives (1) are useful in an amount of 0.001 to 10% by weight as stabilizers against deterioration by light or oxygen of organic substances such as polymers, rubbers and petroleum products. They may be used together with a sulfur or phosphorus-containing antioxidant or a hindered amine light stabilizer.

  炔烃酰胺衍生物的通式为(I)：其中每个 A 是 R1 是氢或 C1-4 烷基，X 是 A 或氢。 五种四烷基和五种三烷基特定化合物被命名。 这些衍生物可以由炔烃酰胺与对羟基苯甲醇、二烷基二硫代氨基甲酸酯或甲醛和苯酚反应制得。 衍生物(1)的用量为 0.001 至 10%（按重量计），可作为稳定剂，防止聚合物、橡胶和石油产品等有机物受光或氧的影响而变质。 它们可与含硫或磷的抗氧化剂或受阻胺光稳定剂一起使用。