2,6-Di-t-butyl-4-(1-brom-propyl)-phenol | 93543-10-3

• 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: 2,6-Di-t-butyl-4-(1-brom-propyl)-phenol
• 英文别名: 2,6-Di-tert-butyl-4-<3-brom-propyl>-phenol；4-(3-bromopropyl)-2,6-di-t-butylphenol；Phenol, 4-(3-bromopropyl)-2,6-bis(1,1-dimethylethyl)-；4-(3-bromopropyl)-2,6-ditert-butylphenol
• CAS: 93543-10-3
• 化学式: C₁₇H₂₇BrO
• 分子量: 327.305
• InChiKey: HQGSMOOSZBPPGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,6-Di-t-butyl-4-(1-brom-propyl)-phenol 在 镍 potassium carbonate 、 肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 2,6-Ditert-butyl-4-[3-[4-[(2-hydroxy-3-isoquinolin-7-yloxypropyl)amino]phenoxy]propyl]phenol
  参考文献：
  名称：

  New series of aryloxypropanolamines with both human β3-adrenoceptor agonistic activity and free radical scavenging properties

  摘要：

  A series of 13 novel hybrid molecules designed to possess both free radical scavenging activity and to stimulate the beta(3)-adrenoceptors in order to improve antidiabetic effect and to restore insulin sensitivity was synthesized and evaluated. Compounds were of quinolyl-, isoquinolyl-, pyridoindolyl- or carbazolyloxypropanolamine structure with a terminal amino group of benzopyranolyl-. di-tert-butylphenolyl- or methoxyindolyl- type. Some of the products possessed both the expected activities. (C) 2002 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(01)00716-8
• 作为产物：
  描述：

  3-(3,5-二叔丁基-4-羟基苯基)丙酸 在 吡啶 、 lithium aluminium tetrahydride 、 三溴化磷 作用下， 以 四氢呋喃 为溶剂， 生成 2,6-Di-t-butyl-4-(1-brom-propyl)-phenol
  参考文献：
  名称：

  New series of aryloxypropanolamines with both human β3-adrenoceptor agonistic activity and free radical scavenging properties

  摘要：

  A series of 13 novel hybrid molecules designed to possess both free radical scavenging activity and to stimulate the beta(3)-adrenoceptors in order to improve antidiabetic effect and to restore insulin sensitivity was synthesized and evaluated. Compounds were of quinolyl-, isoquinolyl-, pyridoindolyl- or carbazolyloxypropanolamine structure with a terminal amino group of benzopyranolyl-. di-tert-butylphenolyl- or methoxyindolyl- type. Some of the products possessed both the expected activities. (C) 2002 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(01)00716-8

文献信息

• Synthesis of selenium-containing derivatives of para-bromopropyl-substituted phenols
  作者：S. V. Kholshin、S. E. Yagunov、N. V. Kandalintseva、A. E. Prosenko

  DOI：10.1007/s11172-018-2149-9

  日期：2018.5

  Na2SeSO3 and bromopropyl-substituted phenol in 50% aqueous ethanol and under the conditions of decreasing EtOH concentration in the reaction medium was studied. Convenient methods for the synthesis of 3-(4-hydroxyaryl)propyl selenosulfates and the corresponding diselenides were proposed. Symmetrical and unsymmetrical selenides (derivatives of alkylated phenols and pyrocatechol) were synthesized.

  研究了 Na2SeSO3 和溴丙基取代苯酚在 50% 乙醇水溶液中反应过程中反应混合物组成变化的动力学以及在反应介质中降低 EtOH 浓度的条件下。提出了合成 3-(4-羟基芳基) 丙基硒代硫酸盐和相应的二硒化物的简便方法。合成了对称和不对称硒化物（烷基化酚和邻苯二酚的衍生物）。
• Urea derivatives and their use as ACAT inhibitors
  申请人：Nisshin Flour Milling Co., Ltd.

  公开号：US05576335A1

  公开（公告）日：1996-11-19

  Urea derivatives of formula (1) ##STR1## wherein the valuable groups are as defined in the specification, which possess both an ACAT inhibitory activity and an antioxidative activity. Those derivatives are useful in the prophylaxis and treatment of hypercholesterolemia and atherosclerosis.

  式（1）的尿素衍生物，其中有价值的基团如规范中定义的那样，具有ACAT抑制活性和抗氧化活性。这些衍生物对预防和治疗高胆固醇血症和动脉粥样硬化很有用。
• Synthesis and antioxidant properties of sodium S-[3-(hydroxyaryl)propyl] thiosulfates and [3-(hydroxyaryl)propane]-1-sulfonates
  作者：A. S. Oleynik、T. S. Kuprina、N. Yu. Pevneva、A. F. Markov、N. V. Kandalintseva、A. E. Prosenko、I. A. Grigor’ev

  DOI：10.1007/s11172-007-0172-3

  日期：2007.6

  Sodium S-[3-(hydroxyaryl)propyl] thiosulfates and [3-(hydroxyaryl)propane]-1-sulfonates with various spatial hindrance of their phenolic OH groups were synthesized from dialkylphenols via a number of intermediate products. On a model reaction of oxidation of methyl oleate in aqueous sodium dodecyl sulfate, the rate constants of the interaction of the synthesized compounds with lipoperoxide radicals were determined.

  合成了不同空间障碍的酚羟基的氨基S-[3-(羟基芳基)丙基]硫代硫酸盐和[3-(羟基芳基)丙烷]-1-磺酸盐，这些化合物是通过多种中间产物从双烷基酚合成的。在水相十二烷基硫酸钠中对油酸甲酯的氧化反应模型中，确定了合成化合物与脂质过氧化物自由基的相互作用速率常数。
• Synthesis and inhibitory activity of alkyl(hydroxyaryl)amines
  作者：O. I. Dyubchenko、V. V. Nikulina、E. I. Terakh、A. E. Prosenko、I. A. Grigor’ev

  DOI：10.1007/s11172-007-0174-1

  日期：2007.6

  The reaction of ω-(4-hydroxyaryl)haloalkanes with various nitrogen-containing agents afforded primary, secondary, and tertiary amino derivatives of 2,6-dialkylphenols. For the compounds synthesized, the reaction rate constants with peroxide radicals were measured for cumene and methyl oleate oxidation. The total inhibitory activity in the model reactions of thermal autooxidation of lard and hexadecane was studied. The rate constants of alkyl(hydroxylaryl)amines are the same as those of the corresponding alkylphenols, whereas the total inhibitory activity of some alkyl(hydroxylaryl)amines exceeds substantially that for alkylphenols.

  ω-(4-羟基芳基)卤代烷烃与各种含氮剂反应后，可得到 2,6 二甲基苯酚的伯氨基、仲氨基和叔氨基衍生物。对于合成的化合物，测量了它们与过氧化自由基在积雪烯和油酸甲酯氧化过程中的反应速率常数。研究了猪油和十六烷热自氧化模型反应中的总抑制活性。烷基（羟基芳基）胺的速率常数与相应烷基酚的速率常数相同，而某些烷基（羟基芳基）胺的总抑制活性大大超过了烷基酚。
• 화합물, 이를 포함하는 감광성 수지 조성물, 감광재, 컬러필터 및 디스플레이 장치
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20200034309A

  公开（公告）日：2020-03-31

  본 명세서는 화학식 1로 표시되는 화합물 및 이를 포함하는 감광성 수지 조성물, 감광재, 컬러필터 및 디스플레이 장치를 제공한다.

  该规范提供了化学式为1的化合物及其包含的光致变色树脂组合物，光致变色剂，彩色滤光片和显示器件。