2,6-dihydroxy-3,5-ditert-butylbenzoic acid | 16094-32-9

• 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: 2,6-dihydroxy-3,5-ditert-butylbenzoic acid
• 英文别名: 3,5-di-t-butyl-2,6-dihydroxybenzoic acid；3,5-Di(tert.-butyl)-2,6-dioxybenzoesaeure；3,5-Di-tert.-butyl-γ-resorcylsaeure；3,5-di-tert-butyl-γ-resorcylic acid；3,5-Di-tert-butyl-2,6-dihydroxybenzoic acid；3,5-ditert-butyl-2,6-dihydroxybenzoic acid
• CAS: 16094-32-9
• 化学式: C₁₅H₂₂O₄
• 分子量: 266.337
• InChiKey: FVQBNGXOHJYGMZ-UHFFFAOYSA-N

物化性质

• 沸点：
  361.8±42.0 °C(Predicted)
• 密度：
  1.146±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-dihydroxy-3,5-ditert-butylbenzoic acid 在 盐酸 、 4-二甲氨基吡啶 、 aluminum (III) chloride 、 硝基甲烷 、 palladium 10% on activated carbon 、 氢气 、 硝酸 、 乙酸酐 、 N,N'-二环己基碳二亚胺 、 sodium nitrite 作用下， 以 甲醇 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 13.0h， 生成 C₁₇H₂₄N₂O₄
  参考文献：
  名称：

  2,6-二羟基苯甲酸右崁醇酯类化合物及其药物用途

  摘要：

  2,6‑二羟基苯甲酸右崁醇酯类化合物，结构符合通式(I)其中：R＝‑H，‑OH，‑NR1R2，或‑CONR3R4。R1，R2＝‑H，1‑6个碳原子的烷基，或‑COR5；R3，R4，R5＝‑H，1‑3个碳原子的烷基。该类药物具有良好的减少卒中损伤、镇痛的作用，可用于制备治疗脑卒中损伤、神经病理性疼痛的药物。

  公开号：

  CN114181087A
• 作为产物：
  描述：

  2,6-二羟基苯甲酸甲酯 在 硫酸 、 水 、 potassium hydroxide 作用下， 以 甲醇 、 甲基叔丁基醚 为溶剂， 生成 2,6-dihydroxy-3,5-ditert-butylbenzoic acid
  参考文献：
  名称：

  [EN] DIARYL TREHALOSE COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS DE TRÉHALOSE DE DIARYLE ET LEURS UTILISATIONS

  摘要：

  本文披露了二芳基海藻糖化合物及其使用方法，例如作为疫苗佐剂。

  公开号：

  WO2019165114A1

文献信息

• Method for the preparation of morphine compounds
  申请人：DLUBALA Alain

  公开号：US20100256176A1

  公开（公告）日：2010-10-07

  The present invention relates to a method for the preparation of morphine compounds comprising a low content of α,β-unsaturated compounds, which comprises the steps of: (i) bringing the crude morphine compound into contact with a base, at a pH of greater than 13, under conditions which make possible the Michael addition reaction on the α,β-unsaturated compound(s) present; (ii) separating the morphine compound from the reaction mixture; and (iii) if appropriate, separating the addition product formed from the morphine compound. It also relates to a composition comprising at least 99% by dry weight of morphine compound or of a pharmaceutically acceptable salt thereof, and an α,β-unsaturated compound in a content of less than 100 ppm.

  本发明涉及一种制备吗啡化合物的方法，其含有低含量的α，β-不饱和化合物，包括以下步骤：(i)将粗制吗啡化合物与碱在大于13的pH值下接触，在可能进行α，β-不饱和化合物的Michael加成反应的条件下；(ii)从反应混合物中分离吗啡化合物；以及(iii)如果需要，从吗啡化合物中分离形成的加成产物。本发明还涉及一种组合物，其包含至少99%干重的吗啡化合物或其药学上可接受的盐，并且α，β-不饱和化合物的含量小于100 ppm。
• HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES
  申请人：Olesen Preben Houlberg

  公开号：US20100041657A1

  公开（公告）日：2010-02-18

  The present invention relates to compounds of formula I, in which at least one of R5, R6 and R7 is SR12, S(O)R12 or S(O)2R12 group where R12 is a C1-6haloalkyl group, that act, as chemical uncouplers. Compounds of the invention are useful in the treatment, including prevention, of obesity, diabetes and a number of diseases or conditions associated therewith.

  本发明涉及公式I的化合物，其中R5，R6和R7中至少有一个是SR12，S（O）R12或S（O）2R12基团，其中R12是C1-6卤代烷基基团，可作为化学解偶联剂。本发明的化合物在治疗，包括预防肥胖症，糖尿病以及与之相关的许多疾病或病况方面非常有用。
• Synthesis, crystal structure and characterization of ternary complexes of lanthanide(III) 3,5-di-tert-butyl-γ-resorcylate with substituted pyridine-N-oxide
  作者：Ying Chu、Yi-Ci Gao、Feng-Jia Shen、Xiang Liu、Yao-Yu Wang、Qi-Zhen Shi

  DOI：10.1016/s0277-5387(99)00312-5

  日期：1999.12

  Twenty one ternary complexes of lanthanide with 3,5-di-tert-butyl-gamma-resorcylic acid (L) and seven different substituted pyridine-N-oxides (L1-7), with compositions of REL3L21-7. nH(2)O (RE=Nd, Gd, Er; L-1=4-picoline-N-oxide; L-2=4-phenyl-pyridine-N-oxide; L-3=pyridine-N-Oxide; L-4=3-picoline-N-oxide; L-5 =quinoline-N-oxide; L-6=iso-quinoline-N-oxide; L-7=4-methoxyl-pyridine-N-oxide; n=0, 1, 2, 5), were synthesized and characterized by means of elemental analysis, electrical conductivity, thermal analysis and IR spectra. The novel crystal structure of ErL3L23.(EtOH) has been determined by a single-crystal X-ray diffraction method. It shows that each erbium ion is linked to three 3,5-di-tert-butyl-gamma-resorcylic acid ions through two different types of dentation modes in which only the carboxylate oxygen atoms participate. The coordination geometries of erbium ion can be described as a distorted octa-coordinated bicapped trigonal prism. (C) 1999 Elsevier Science Ltd. All rights reserved.
• Aryl Trehalose Derivatives as Vaccine Adjuvants for <i>Mycobacterium tuberculosis</i>
  作者：Kendal T. Ryter、George Ettenger、Omer K. Rasheed、Cassandra Buhl、Robert Child、Shannon M. Miller、David Holley、Alyson J. Smith、Jay T. Evans

  DOI：10.1021/acs.jmedchem.9b01598

  日期：2020.1.9

  Mycobacterium tuberculosis (Mtb) continues to be a major health threat worldwide, and the development of Mtb vaccines could play a pivotal role in the prevention and control of this devastating epidemic. Th17-mediated immunity has been implicated in disease protection correlates of immune protection against Mtb. Currently, there are no approved adjuvants capable of driving a Th17 response in a vaccine setting. Recent clinical trial results using trehalose dibehenate have demonstrated a formulation-dependant proof of concept adjuvant system CAF01 capable of inducing long-lived protection. We have discovered a new class of Th17-inducing vaccine adjuvants based on the natural product Brartemicin. We synthesized and evaluated the capacity of a library of aryl trehalose derivatives to drive immunostimulatory reresponses and evaluated the structure-activity relationships in terms of the ability to engage the Mincle receptor and induce production of innate cytokines from human and murine cells. We elaborated on the structure-activity relationship of the new scaffold and demonstrated the ability of the lead entity to induce a pro-Th17 cytokine profile from primary human peripheral blood mononuclear cells and demonstrated efficacy in generating antibodies in combination with tuberculosis antigen M72 in a mouse model.
• NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES
  申请人：NOVO NORDISK A/S

  公开号：EP1881961A1

  公开（公告）日：2008-01-30