2-(benzyloxy)-3-nitrobenzoic acid | 107558-95-2

• 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-(benzyloxy)-3-nitrobenzoic acid
• 英文别名: 2-benzyloxy-3-nitrobenzoic acid；2-benzyloxy-3-nitro-benzoic acid；2-Benzyloxy-3-nitro-benzoesaeure；3-nitro-2-benzyloxybenzoic acid；3-nitro-2-phenylmethoxybenzoic acid
• CAS: 107558-95-2
• 化学式: C₁₄H₁₁NO₅
• 分子量: 273.245
• InChiKey: BJFUJKRDCWUMQV-UHFFFAOYSA-N

物化性质

• 熔点：
  129-130 °C(Solv: benzene (71-43-2))
• 沸点：
  472.7±35.0 °C(Predicted)
• 密度：
  1.376±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(benzyloxy)-3-nitrobenzoic acid 在 草酰氯 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 methyl 3(-3-(3-(3-(2-(benzyloxy)-3-nitrobenzamido)-2-methoxybenzamido)-2-fluorobenzamido)2-fluorobenzamido)-2-methoxybenzoate
  参考文献：
  名称：

  Intramolecularly Hydrogen-Bonded Aromatic Pentamers as Modularly Tunable Macrocyclic Receptors for Selective Recognition of Metal Ions

  摘要：

  Despite the tremendous progress that has been made in macrocyclic chemistry since the discovery of corands, cryptands, and spherands more than four decades ago, macrocyclic systems possessing a high level of controllability in structural configuration concurrent with a systematic tunability in function are still very rare. Employing an inner design strategy to orient Hbonding forces toward a macrocyclic cavity interior while convergently aligning exchangeable ionbinding building blocks that dictate a near-identical backbone curvature, we demonstrate here a novel pentagonal framework that not only enables its variable interior cavity to be maintained at near-planarity but also allows its ion-binding potential to be highly tunable. The H-bonded macrocyclic pentamers thus produced have allowed a systematic and combinatorial evolution of ion-selective pentamers for preferential recognition of Cs+, K+, or Ag+ ions.

  DOI：

  10.1021/jacs.5b07123
• 作为产物：
  描述：

  3-硝基水杨酸 、 溴甲苯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(benzyloxy)-3-nitrobenzoic acid
  参考文献：
  名称：

  CONDENSED RING COMPOUND AND USE THEREOF

  摘要：

  公开号：

  EP1661892B1

文献信息

• Novel cyclic diamine compounds and medicine containing the same
  申请人：Kowa Company, Ltd.

  公开号：US20040038987A1

  公开（公告）日：2004-02-26

  The present invention offers novel cyclic diamine compounds and a pharmaceutical composition containing the same. The present invention relates to a compound represented by the formula (I) or salt(s) or solvate(s) thereof. 1 (In the formula, 2 is an optionally substituted divalent residue of benzene, pyridine, cyclohexane or naphthalene or is a vinylene group where Ar is an optionally substituted aryl group; X is —NH—, oxygen atom or sulfur atom; Y is —NR 1 —, oxygen atom, sulfur atom, sulfoxide or sulfone; Z is a single bond or —NR 2 —; R 1 is hydrogen atom, optionally substituted lower alkyl group, optionally substituted aryl group or optionally substituted silyl lower alkyl group; R 2 is hydrogen atom, optionally substituted lower alkyl group, optionally substituted aryl group or optionally substituted silyl lower alkyl group; l is an integer of from 0 to 15; m is an integer of 2 or 3; and n is an integer of from 0 to 3). The compound of the present invention is useful as a pharmaceutical composition, particuarly as an inhibitor of acyl coenzyme A cholesterol acyltransferase (ACAT).

  本发明提供了新颖的环状二胺化合物以及含有该化合物的药物组合物。本发明涉及由式(I)表示的化合物或其盐或溶剂化合物。(在该式中，2是苯、吡啶、环己烷或萘的可选择取代的二价残基，或者是Ar为可选择取代芳基的乙烯基；X为—NH—、氧原子或硫原子；Y为—NR1—、氧原子、硫原子、亚砜或砜；Z为单键或—NR2—；R1为氢原子、可选择取代的较低烷基、可选择取代的芳基或可选择取代的硅烷较低烷基；R2为氢原子、可选择取代的较低烷基、可选择取代的芳基或可选择取代的硅烷较低烷基；l为0到15的整数；m为2或3的整数；n为0到3的整数)。本发明的化合物可用作药物组合物，特别是作为酰辅酶A胆固醇酰基转移酶(ACAT)的抑制剂。
• Patterned recognition of amines and ammonium ions by a stimuli-responsive foldamer-based hexameric oligophenol host
  作者：Chang Sun、Changliang Ren、Yuchen Wei、Bo Qin、Huaqiang Zeng

  DOI：10.1039/c3cc42349b

  日期：——

  A stimuli-responsive hexameric oligophenol host undergoes amine-induced co-operative folding from a more fluorescent, more linear structure into less fluorescent, more curved or helically folded states, enabling easy identification and classification of the bound amine guests.

  一种对刺激响应的六聚体低聚酚主体，在胺引发下协同折叠，从一个更荧光、更线性的结构转变为不那么荧光、更多弯曲或螺旋折叠的状态，使得结合的胺客体易于识别和分类。
• Acylaminosalicylic acid amides and their uses as pesticides
  申请人：Bayer Aktiengesellschaft

  公开号：US06001879A1

  公开（公告）日：1999-12-14

  The invention relates to known and to new acylaminosalicylamides, to a plurality of processes for their preparation and to their use as pesticides. The present application furthermore relates to new intermediates, to a plurality of processes for their preparation and to their use as pesticides.

  本发明涉及已知和新的酰胺基水杨酰胺类化合物，以及多种制备它们的方法和它们作为杀虫剂的用途。本申请还涉及新的中间体，多种制备它们的方法和它们作为杀虫剂的用途。
• Substituted aminosalicylic acid amides with fungicidal effect and intermediate products for production thereof
  申请人：——

  公开号：US20020006958A1

  公开（公告）日：2002-01-17

  The invention relates to novel substituted aminosalicylamides, to a plurality of processes for their preparation and to their use as fungicides, and also to novel intermediates and to a plurality of processes for their preparation.

  该发明涉及新的取代氨基水杨酰胺，以及多种制备它们的方法，以及它们作为杀真菌剂的用途，还涉及新的中间体以及多种制备它们的方法。
• Condensed ring compound and use thereof
  申请人：Takeuchi Jun

  公开号：US20060194797A1

  公开（公告）日：2006-08-31

  The present invention relates to a compound of formula (I) (wherein all symbols have the same meanings as described hereinbefore). The compound antagonizes cysLT 2 and therefore, it is useful as an agent for the prevention and/or treatment of respiratory diseases such as bronchial asthma, bronchial asthma, chronic obstructive pulmonary disease, pneumonectasia, chronic bronchitis, pneumonia (e.g. interstitial pneumonitis etc.), severe acute respiratory syndrome (SARS), acute respiratory distress syndrome (ARDS), allergic rhinitis, sinusitis (e.g. acute sinusitis, chronic sinusitis, etc.), and the like, or as an expectorant or antitussives.

  本发明涉及一种化合物，其化学式为(I)（其中所有符号的含义如前所述）。该化合物对cysLT2具有拮抗作用，因此，它可作为预防和/或治疗呼吸系统疾病（如支气管哮喘、慢性阻塞性肺疾病、肺气肿、慢性支气管炎、肺炎（如间质性肺炎等）、严重急性呼吸综合征（SARS）、急性呼吸窘迫综合征（ARDS）、过敏性鼻炎、鼻窦炎（如急性鼻窦炎、慢性鼻窦炎等）等，或作为祛痰药或止咳药物使用。