3-叔丁基水杨酸 | 16094-30-7

• 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-叔丁基水杨酸
• 英文名称: 3-(tert-butyl)-2-hydroxybenzoic acid
• 英文别名: 3-tert-butyl salicylic acid；3-tert-Butylsalicylic acid；3-tert-butyl-2-hydroxybenzoic acid
• CAS: 16094-30-7
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: ZAAMQANODYDRDF-UHFFFAOYSA-N

物化性质

• 沸点：
  304.4±35.0 °C(Predicted)
• 密度：
  1.162±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2918290000

反应信息

• 作为反应物：
  描述：

  3-叔丁基水杨酸 在 ammonium hydroxide 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 0.17h， 生成 2-((aminooxy)carbonyl)-6-(tert-butyl)phenol
  参考文献：
  名称：

  Optimization of NAMPT activators to achieve in vivo neuroprotective efficacy

  摘要：

  DOI：

  10.1016/j.ejmech.2022.114260
• 作为产物：
  描述：

  3-叔丁基-2-羟基苯甲醛 在 silver(l) oxide 作用下， 以 sodium hydroxide 为溶剂， 反应 16.0h， 以46%的产率得到3-叔丁基水杨酸
  参考文献：
  名称：

  Manganese amido-imine bisphenol Hangman complexes

  摘要：

  A modular ligand macrocycle is composed from two phenolic groups linked to a cyclohexane bridge through an amide bond and an imine bond. The stability of the asymmetric linkers to metathesis permits a macrocyclic platform to be assembled from the condensation of two different phenolic groups in a single-step, high yield, reaction. The primary coordination sphere may be tuned with functional groups on one phenolic group. The other phenolic group may be modified with a scaffold possessing a proton transfer group. In this way, control over the secondary coordination sphere of the macrocycle is achieved. Manganese complexes of the amido-imine linked macrocycle catalytically epoxidizes 1,2-dihydronapthalene using sodium hypochlorite as the oxidant. The amido-imine macrocycles represent a new metal active site capable of supporting high oxidation states and attendant atom transfer chemistry while at the same time permitting control over the primary and secondary sphere of the metal center. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.111

文献信息

• Oxidative carbonylation of monohydroxy aryl compounds by methyl formate
  申请人：Bayer MaterialScience AG

  公开号：EP2781503A1

  公开（公告）日：2014-09-24

  The field of the present invention relates to a process for continuously preparing alkylaryl carbonates and diarylcarbonates from methyl formate and at least one monohydroxy aryl compound in the presence of catalysts, and to the use thereof for preparation of polycarbonates.

  本发明领域涉及一种在催化剂存在下，从甲酸甲酯和至少一种单羟基芳基化合物连续制备烷基芳基碳酸酯和二芳基碳酸酯的方法，以及其用于制备聚碳酸酯的用途。
• Salicylanilide derivatives having anthelmintic activity
  申请人：Imperial Chemical Industries Limited

  公开号：US04025647A1

  公开（公告）日：1977-05-24

  Salicylanilide derivatives bearing a 3-secondary or tertiary alkyl, 5-cyano, alkanoyl, phenylazo, phenylthio, phenylsulphinyl or phenylsulphonyl, an optional 6-methyl and a variety of substituents on the anilino ring. The compounds have anthelmintic activity especially against liver fluke.

  Salicylanilide衍生物具有3-次生或三级烷基，5-氰基，烷酰基，苯偶氮基，苯硫基，苯亚砜基或苯砜基，以及苯胺环上的可选6-甲基和各种取代基。这些化合物具有驱虫活性，特别是对肝吸虫具有活性。
• [EN] MACROCYCLIC COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE ACTIVITY AND USE THEREOF<br/>[FR] COMPOSÉS MACROCYCLIQUES POUR L'INHIBITION DE L'ACTIVITÉ DE L'INDOLÉAMINE -2,3-DIOXYGÉNASE ET LEUR UTILISATION
  申请人：ENSEMBLE THERAPEUTICS CORP

  公开号：WO2018053302A1

  公开（公告）日：2018-03-22

  The present invention relates to compounds, and pharmaceutically acceptable compositions thereof, useful as antagonists of indoleamine-2,3-dioxygenase (IDO) activity, and methods of treating IDO-related disorders.

  本发明涉及化合物及其药用可接受的组合物，用作吲哌酸胺-2,3-二氧化酶（IDO）活性的拮抗剂，并用于治疗与IDO相关的疾病的方法。
• [EN] COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME<br/>[FR] COMPOSÉS UTILES DANS LE TRAITEMENT DE TROUBLES MÉTABOLIQUES ET LEUR SYNTHÈSE
  申请人：UNIV NORTH CAROLINA

  公开号：WO2014165816A1

  公开（公告）日：2014-10-09

  The present invention provides compounds of Formula (I): wherein variables X, Y, Z and R1 are as described herein. Some of the compounds described herein are glutamate dehydrogenase activators. The invention is also directed to pharmaceutical compositions comprising these compounds, uses of these compounds and compositions in the treatment of metabolic disorders as well as synthesis of the compounds.

  本发明提供了式(I)化合物：其中变量X、Y、Z和R1如本文所述。本文所述的一些化合物是谷氨酸脱氢酶激活剂。本发明还涉及包含这些化合物的药物组合物、这些化合物和组合物在治疗代谢紊乱中的用途以及这些化合物的合成。
• Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity
  申请人：Carter H. Percy

  公开号：US20050054626A1

  公开（公告）日：2005-03-10

  The present application describes modulators of MCP-1 of formula (I): or pharmaceutically acceptable salt forms thereof, useful for the prevention of asthma, multiple sclerosis, artherosclerosis, and rheumatoid arthritis.

  本申请描述了MCP-1的调节剂，化学式为(I)：或其药用可接受的盐形式，用于预防哮喘、多发性硬化症、动脉粥样硬化和类风湿性关节炎。