2-hydroxy-5-methyl-3-nitro-benzoic acid | 59672-93-4

• 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-hydroxy-5-methyl-3-nitro-benzoic acid
• 英文别名: 2-Hydroxy-5-methyl-3-nitro-benzoesaeure；Nitro-p-kresotinsaeure；2-Hydroxy-5-methyl-3-nitrobenzoic acid
• CAS: 59672-93-4
• 化学式: C₈H₇NO₅
• 分子量: 197.147
• InChiKey: MAQGNTACXAOLNE-UHFFFAOYSA-N

物化性质

• 熔点：
  176-177 °C
• 沸点：
  331.9±42.0 °C(Predicted)
• 密度：
  1.534±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-hydroxy-5-methyl-3-nitro-benzoic acid 在 盐酸 、 tin(ll) chloride 作用下， 生成 4-Methyl-6-carboxy-2-amino-phenol
  参考文献：
  名称：

  Ried,W.; Appel,H., Justus Liebigs Annalen der Chemie, 1964, vol. 679, p. 56 - 77

  摘要：

  DOI：
• 作为产物：
  描述：

  5-甲基水杨酸 在 硝酸 、 溶剂黄146 作用下， 生成 2-hydroxy-5-methyl-3-nitro-benzoic acid
  参考文献：
  名称：

  Einhorn; Pfyl, Justus Liebigs Annalen der Chemie, 1900, vol. 311, p. 55

  摘要：

  DOI：

文献信息

• 2'Hydroxy tetrazole-5-carboxanilides and anti-allergic use thereof
  申请人：May & Baker Limited

  公开号：US04442115A1

  公开（公告）日：1984-04-10

  New tetrazole derivatives of the general formula: ##STR1## [wherein R.sup.1 represents a halogen atom, a straight- or branched-chain alkyl, alkoxy, alkylthio, alkylsulphinyl, alkylsulphonyl or alkylsulphamoyl group, each such group containing from 1 to 6 carbon atoms, a dialkylsulphamoyl, dialkylamino, or dialkylcarbamoyl group (wherein the two alkyl groups may be the same or different and each contains from 1 to 4 carbon atoms), a straight- or branched-chain alkanoyl, alkoxycarbonyl, alkoxycarbonylamino, alkylcarbamoyl or alkanoylamino group containing from 2 to 6 carbon atoms, a cycloalkylcarbonyl group containing from 3 to 8 carbon atoms in the cycloalkyl moiety, or a hydroxy, formyl, nitro, trifluoromethyl, trifluoroacetyl, aryl, benzyloxycarbonylamino, amino, sulphamoyl, cyano, tetrazol-5-yl, carboxy, carbamoyl, benzyloxy, aralkanoyl or aroyl group, or a group of the formula: --CR.sup.2 .dbd.NOR.sup.3 II (wherein R.sup.2 represents a hydrogen atom or a straight- or branched-chain alkyl group containing from 1 to 5 carbon atoms, an aryl, aralkyl or trifluoromethyl group, or a cycloalkyl group containing from 3 to 8 carbon atoms, and R.sup.3 represents a hydrogen atom, or a straight- or branched-chain alkyl group containing from 1 to 6 carbon atoms optionally substituted by a phenyl group, or represents an aryl group optionally substituted by one or more substituents selected from halogen atoms and straight- or branched-chain alkyl and alkoxy groups containing from 1 to 6 carbon atoms and hydroxy, trifluoromethyl and nitro groups), and m represents zero or an integer 1, 2 or 3, the substituents R.sup.1 being the same or different when m represents 2 or 3] possess pharmacological properties, in particular properties of value in the treatment of allergic conditions.

  新的四唑衍生物的一般化学式为：##STR1##[其中R.sup.1代表卤素原子，直链或支链烷基，烷氧基，烷硫基，烷基亚硫酰基，烷基磺酰基或烷基磺胺基，每个这样的基团含有1至6个碳原子，双烷基磺酰胺基，双烷基氨基或双烷基氨基甲酰基（其中两个烷基可能相同或不同，每个含有1至4个碳原子），直链或支链脂肪酰基，烷氧基羰基，烷氧基羰基氨基，烷基甲酰胺基或脂肪酰胺基含有2至6个碳原子，环烷基羰基含有3至8个碳原子的环烷基基团，或羟基，甲酰基，硝基，三氟甲基，三氟乙酰基，芳基，苄氧羰胺基，氨基，磺酰胺基，氰基，四唑-5-基，羧基，氨基甲酰基，苄氧基，芳基酰基或芳酰基，或式子：--CR.sup.2.dbd.NOR.sup.3 II（其中R.sup.2代表氢原子或含有1至5个碳原子的直链或支链烷基，芳基，芳基烷基或三氟甲基基团，或含有3至8个碳原子的环烷基基团，R.sup.3代表氢原子，或含有1至6个碳原子的直链或支链烷基基团，可选择地由苯基取代，或表示由一个或多个取代基选择的卤素原子和直链或支链烷基和烷氧基基团，含有1至6个碳原子和氢氧基，三氟甲基和硝基基团），m表示零或整数1、2或3，当m表示2或3时，取代基R.sup.1相同时或不同时]具有药理学性质，特别是在治疗过敏症状方面具有价值的性质。
• Process for the production of vinyltoluene
  申请人：COSDEN TECHNOLOGY INC.

  公开号：EP0062625A1

  公开（公告）日：1982-10-13

  A process for the production of vinyltoluene, comprising the steps of: producing a crude vinyltoluene product by the catalytic dehydrogenation of ethyltoluene; removing compounds from the crude vinyltoluene product which have a higher molecular weight than vinyltoluene to form a prepurified crude vinyltoluene product; and fractionally distilling the prepurified crude vinyltoluene product in a distillation apparatus to recover purified vinyltoluene. The higher molecular weight compounds removed are compounds which foster the conversion of vinyltoluene into cross-linked polymer. The compounds removed preferably have more than 11 carbon atoms. In one embodiment, the step of removing higher molecular weight compounds comprises condensing a vaporous crude vinyltoluene product to form a crude vinyltoluene solution, and subjecting the crude vinyltoluene solution to flash distillation to form a vaporous prepurified crude vinyltoluene product. Optionally, the prepurified crude vinyltoluene in the distillation apparatus may include a polymerization inhibitor.

  一种生产乙烯基甲苯的工艺，包括以下步骤：通过乙甲苯的催化脱氢生产乙烯基甲苯粗产品；从乙烯基甲苯粗产品中去除分子量高于乙烯基甲苯的化合物，形成预纯化的乙烯基甲苯粗产品；在蒸馏装置中分馏预纯化的乙烯基甲苯粗产品，回收纯化的乙烯基甲苯。去除的高分子量化合物是促进乙烯基甲苯转化为交联聚合物的化合物。去除的化合物最好具有 11 个以上的碳原子。在一个实施方案中，去除高分子量化合物的步骤包括冷凝蒸发的粗乙烯基甲苯产品以形成粗乙烯基甲苯溶液，并将粗乙烯基甲苯溶液进行闪蒸以形成蒸发的预纯化粗乙烯基甲苯产品。可选地，蒸馏装置中的预纯化粗乙烯基甲苯可包括聚合抑制剂。
• v. Kostanecki; Niementowski, Chemische Berichte, 1885, vol. 18, p. 253
  作者：v. Kostanecki、Niementowski

  DOI：——

  日期：——
• [EN] EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS<br/>[FR] INHIBITEURS DU TRANSPORTEUR ÉQUILIBRANT DES NUCLÉOSIDES ENT1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2009062990A3

  公开（公告）日：2009-09-24
• Potential salicylamide antiplaque agents: in vitro antibacterial activity against Actinomyces viscosus
  作者：Robert A. Coburn、Armando J. Batista、Richard T. Evans、Robert J. Genco

  DOI：10.1021/jm00142a023

  日期：1981.10

  A series of 55 salicylamides, including 3,5-dibromo-, 5-n-alkyl-, and 5-n-acylsalicyloyl derivatives of various anilines, heterocyclic amines, benzylamines, and alkylamines, was synthesized and evaluated for in vitro antibacterial activity against Actinomyces viscosus, an adherent oral microorganism implicated in periodontal disease. The in vitro minimum inhibitory concentrations of 15 4'-bromosalicylanilides were found to correlate (r = 0.92) with estimated log D values. Several nonhalogenated salicylanilides, such as 5-n-hexyl- (40) and 5-n-decanoyl-4'-nitrosalicylanilide (47), were found to exhibit higher levels of in vitro antibacterial activity against a number of Actinomycetes than did tribromsalan (1) or fluorophene (2).