2-tert-butyl-4-mercaptophenol | 33370-49-9

• 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-mercaptophenol
• 英文别名: 2-(1,1-dimethylethyl)-4-mercaptophenol；2-tertiarybutyl-4-mercaptophenol；2-t-butyl-4-mercaptophenol；1,1-Dimethylethyl-4-mercaptophenol；2-tert-butyl-4-sulfanylphenol
• CAS: 33370-49-9
• 化学式: C₁₀H₁₄OS
• 分子量: 182.287
• InChiKey: IFCULCNHRHLLRR-UHFFFAOYSA-N

物化性质

• 沸点：
  279.0±33.0 °C(Predicted)
• 密度：
  1.090±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  21.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-tert-butyl-4-mercaptophenol 在 potassium carbonate 、 potassium hydrogencarbonate 作用下， 以 异丙醇 为溶剂， 生成 Phenol, 2-(1,1-dimethylethyl)-4-[(3,7-dimethyl-6-octenyl)thio]-
  参考文献：
  名称：

  Substituted phenols and thiophenols useful as antioxidant agents

  摘要：

  本发明提供了以下结构的化合物：其中X选择自##STR2##，Y是硫、氧或亚甲基基团；Z是氢或--C(O)--(CH.sub.2).sub.m --Q，其中Q是氢或--COOH，m是整数1、2、3或4；R.sub.1是C.sub.1 -C.sub.6烷基；R.sub.2、R.sub.3和R.sub.4各自独立地是氢或C.sub.1 -C.sub.6烷基；或其立体异构体；用于治疗动脉粥样硬化和慢性炎症性疾病；用于抑制细胞因子诱导的VCAM-1和/或ICAM-1的表达；用于抑制LDL脂质的过氧化作用；用于降低血浆胆固醇；以及作为抗氧化剂化学添加剂，可用于预防有机材料的氧化恶化。

  公开号：

  US06114572A1

文献信息

• 一种屏蔽酚化合物、其制造方法及其作为抗氧 剂的应用
  申请人：中国石油化工股份有限公司

  公开号：CN105315183B

  公开（公告）日：2019-02-01

  本发明涉及一种如下式(I)所示的屏蔽酚化合物、其制造方法及其作为抗氧剂的应用，式(I)中各基团的定义同说明书。使用本发明的屏蔽酚化合物作为抗氧剂，可以制造出高温抗氧化性能优异的润滑油组合物。
• Substituted phenols and thiophenols useful as antioxidant agents
  申请人：Hoechst Marion Roussel, Inc.

  公开号：US06114572A1

  公开（公告）日：2000-09-05

  The present invention provides compounds of the formula ##STR1## wherein X is selected from the group consisting of ##STR2## Y is thio, oxy or a methylene group; Z is hydrogen or --C(O)--(CH.sub.2).sub.m --Q wherein Q is hydrogen or --COOH and m is an integer 1, 2, 3 or 4; R.sub.1 is C.sub.1 -C.sub.6 alkyl; and R.sub.2, R.sub.3 and R.sub.4 are each independently hydrogen or C.sub.1 -C.sub.6 alkyl; or a stereoisomer thereof; useful for the treatment of atherosclerosis and chronic inflammatory disorders; for inhibiting cytokine-induced expression of VCAM-1 and/or ICAM-1; for inhibiting the peroxidation of LDL lipid; for lowering plasma cholesterol; and as anti-oxidant chemical additives useful for preventing oxidative deterioration in organic materials.

  本发明提供了以下结构的化合物：其中X选择自##STR2##，Y是硫、氧或亚甲基基团；Z是氢或--C(O)--(CH.sub.2).sub.m --Q，其中Q是氢或--COOH，m是整数1、2、3或4；R.sub.1是C.sub.1 -C.sub.6烷基；R.sub.2、R.sub.3和R.sub.4各自独立地是氢或C.sub.1 -C.sub.6烷基；或其立体异构体；用于治疗动脉粥样硬化和慢性炎症性疾病；用于抑制细胞因子诱导的VCAM-1和/或ICAM-1的表达；用于抑制LDL脂质的过氧化作用；用于降低血浆胆固醇；以及作为抗氧化剂化学添加剂，可用于预防有机材料的氧化恶化。
• Alkyl-4-silyl-phenols and esters thereof as antiatherosclerotic agents
  申请人：Hoechst Marion Roussel, Inc.

  公开号：US05608095A1

  公开（公告）日：1997-03-04

  This invention relates to compounds of the formula ##STR1## wherein R.sub.1 and R.sub.6 are each independently C.sub.1 -C.sub.6 alkyl; R.sub.2, R.sub.3 and R.sub.4 are each independently hydrogen or C.sub.1 -C.sub.6 alkyl; R is hydrogen or --C(O)--(CH.sub.2).sub.m --Q wherein Q is hydrogen or --COOH and m is an integer 1, 2, 3 or 4; Z is a thio, oxy or methylene group; A is a C.sub.1 -C.sub.4 alkylene group; R.sub.5 and R.sub.7 are each independently a C.sub.1 -C.sub.6 alkyl or --(CH.sub.2).sub.n --(Ar) wherein n is an integer 0, 1, 2 or 3; and Ar is phenyl or naphthyl unsubstituted or substituted with one to three substituents selected from the group consisting of hydroxy, methoxy, ethoxy, halogen, trifluoromethyl, C.sub.1 -C.sub.6 alkyl, or --NR.sub.8 R.sub.9, wherein R.sub.8 and R.sub.9 are each independently hydrogen or C.sub.1 -C.sub.6 alkyl; with the proviso that when R.sub.2 and at least one of R.sub.5 or R.sub.7 is C.sub.1 -C.sub.6 alkyl, and Ar is not substituted with trifluoromethyl or --NR.sub.8 R.sub.9, then R is --C(O)--(CH.sub.2).sub.m --Q; or a pharmaceutically acceptable salt thereof; useful for the treatment of atherosclerosis and chronic inflammatory disorders; for inhibiting cytokine-induced expression of VCAM-1 and/or ICAM-1; for inhibiting the peroxidation of LDL lipid; for lowering plasma cholesterol; and as antioxidant chemical additives useful for preventing oxidative deterioration in organic materials.

  本发明涉及以下式的化合物：其中R.sub.1和R.sub.6分别独立为C.sub.1-C.sub.6烷基；R.sub.2、R.sub.3和R.sub.4分别独立为氢或C.sub.1-C.sub.6烷基；R为氢或--C(O)--(CH.sub.2).sub.m--Q，其中Q为氢或--COOH，m为整数1、2、3或4；Z为硫、氧或亚甲基基团；A为C.sub.1-C.sub.4烷基基团；R.sub.5和R.sub.7分别独立为C.sub.1-C.sub.6烷基或--(CH.sub.2).sub.n--(Ar)，其中n为整数0、1、2或3；Ar为苯基或萘基，未取代或取代一个至三个羟基、甲氧基、乙氧基、卤素、三氟甲基、C.sub.1-C.sub.6烷基或--NR.sub.8R.sub.9，其中R.sub.8和R.sub.9分别独立为氢或C.sub.1-C.sub.6烷基；但当R.sub.2和至少一个R.sub.5或R.sub.7为C.sub.1-C.sub.6烷基，且Ar未取代三氟甲基或--NR.sub.8R.sub.9时，则R为--C(O)--(CH.sub.2).sub.m--Q；或其药学上可接受的盐；用于治疗动脉粥样硬化和慢性炎症性疾病；用于抑制细胞因子诱导的VCAM-1和/或ICAM-1表达；用于抑制LDL脂质过氧化；用于降低血浆胆固醇；以及作为抗氧化剂化学添加剂，用于防止有机材料的氧化恶化。
• Cyclic phenolic thioethers
  申请人：G. D. Searle & Co.

  公开号：US05393764A1

  公开（公告）日：1995-02-28

  The compounds of the present invention comprise substituted phenolic thioethers represented by the formula ##STR1## wherein: R.sup.1 and R.sup.2 are the same or different and independently represent tert-alkyl or phenyl; R.sup.3 represents hydrogen or alkyl; X represents --(CH.sub.2).sub.w --B--(CH.sub.2).sub.y -- wherein B represents O, S, or CH.sub.2 and w and y can each independently be an integer from 0 to 3 with the proviso that the sum of w+y is equal to or less than 3; A represents O or S(O).sub.n wherein n is 0, 1 or 2; p is an integer from 1 to 4; and R represents alkyl; OH; OR.sup.4 wherein R.sup.4 is alkyl of 1 to 4 carbon atoms; NR.sup.5 R.sup.6 wherein R.sup.5 is hydrogen or alkyl and R.sup.6 is hydrogen, alkyl, heterocyclealkyl in which the hetercyclic ring may optionally be substituted; cycloalkyl; substituted cycloalkyl; phenyl; substituted phenyl; phenylalkyl; or substituted phenylalkyl; or NR.sup.5 R.sup.6 together form a heterocyclic ring which may optionally be substituted; or R is (CH.sub.2).sub.t COOR.sup.7 wherein t is an integer from 1 to 4 and R.sup.7 is hydrogen or alkyl of 1 to 4 carbon atoms; and the pharmaceutically acceptable salts and stereoisomers or geometric isomers thereof. The compounds of the present invention are inhibitors of 5-lipoxygenase.

  本发明的化合物包括由以下式子表示的取代苯基硫醚：##STR1## 其中：R^1和R^2相同或不同，且分别代表三联烷基或苯基；R^3代表氢或烷基；X代表--(CH2)w--B--(CH2)y--，其中B代表O，S或CH2，w和y可以各自独立地是从0到3的整数，但w+y的和等于或小于3；A代表O或S(O)n，其中n为0，1或2；p是1到4的整数；R代表烷基、OH、OR^4（其中R^4是1到4个碳原子的烷基）、NR^5R^6（其中R^5为氢或烷基，R^6为氢、烷基、杂环烷基（其中杂环环可能选择性地被取代）、环烷基、取代环烷基、苯基、取代苯基、苯基烷基或取代苯基烷基；或NR^5R^6共同形成可能选择性地被取代的杂环环；或R为(CH2)tCOOR^7，其中t是1到4的整数，R^7是氢或1到4个碳原子的烷基；以及其药学上可接受的盐和立体异构体或几何异构体。本发明的化合物是5-脂氧酶的抑制剂。
• Cyclic phenolic thioethers compounds which are useful in treating
  申请人：G. D. Searle & Co.

  公开号：US05334616A1

  公开（公告）日：1994-08-02

  The compounds of the present invention comprise substituted phenolic thioethers represented by the formula(I) and the radicals are defined in the claims: ##STR1## The compounds of the present invention are useful in the treatment of local and systemic inflammation and allergy reactions.

  本发明的化合物包括由式(I)所表示的取代苯基硫醚，其中基团在权利要求中定义：##STR1## 本发明的化合物在治疗局部和全身炎症和过敏反应方面是有用的。