3-乙氧基-2-萘甲酸 | 54245-36-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 3-乙氧基-2-萘甲酸
• 中文别名: 3-乙氧基萘-2-羧酸；3-乙氧基-2-萘羧酸
• 英文名称: 3-ethoxy-[2]naphthoic acid
• 英文别名: 3-Aethoxy-[2]naphthoesaeure；3-Ethoxy-2-naphthoesaeure；3-Ethoxy-2-naphthosaeure；3-Ethoxy-2-naphthoic acid；3-ethoxynaphthalene-2-carboxylic acid
• CAS: 54245-36-2
• 化学式: C₁₃H₁₂O₃
• mdl: MFCD08261051
• 分子量: 216.236
• InChiKey: RZBCENNFWITWFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.153
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  3-乙氧基-2-萘甲酸 在 氯化亚砜 作用下， 生成 3-ethoxy-[2]naphthoic acid-(2-diethylamino-ethylamide)
  参考文献：
  名称：

  Sieger et al., Journal of the American Pharmaceutical Association (1912), 1958, vol. 47, p. 734,738

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨基-3-溴萘 在 硫酸 、 sodium 、 铜 、 1-苯基-1,3-丁二酮 作用下， 以 溶剂黄146 为溶剂， 生成 3-乙氧基-2-萘甲酸
  参考文献：
  名称：

  Cirigottis,K.A. et al., Australian Journal of Chemistry, 1974, vol. 27, p. 2209 - 2228

  摘要：

  DOI：

文献信息

• Pivotal role of intramolecular catalysis in the selective acetylation of alkyl amines
  作者：Elvis N. Nishida、Ramon Vitto、Rômulo C.R. Peixoto、Faruk Nome、Bruno S. Souza

  DOI：10.1002/poc.3842

  日期：2019.1

  Preparation of amides by the use of esters as the “acyl donor” is less explored because they are less reactive and usually more steric demanding than conventional acid halides and anhydrides. Here, we report that 3‐acetoxy‐2‐naphthoic acid, an aspirin analogue, can be used as a mild amine acetylating agent in ethanol at 25°C. The reaction is sensitive to steric and polar effects of the attacking amine

  与常规的酰卤和酸酐相比，使用酯作为“酰基给体”制备酰胺的方法较少，因为它们的反应性较低，对空间的要求通常更高。在这里，我们报道了阿司匹林类似物3-乙酰氧基-2-萘甲酸可用作25°C乙醇中的温和胺乙酰化剂。该反应对攻击性胺的空间和极性效应敏感，速率常数可以通过Pavelich-Taft相关性进行适当拟合。用于研究所有反应步骤的密度泛函理论计算表明，邻羧基基团起着关键作用，指导攻击胺并加速反应。该反应可方便地用于各种伯胺和仲胺的酰化。
• [EN] CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS<br/>[FR] BLOQUEUR DE CANAUX SODIQUES TRIAZOÏQUES ET DIAZOÏQUES CYCLIQUES
  申请人：UNIV GREENWICH

  公开号：WO2009090431A1

  公开（公告）日：2009-07-23

  Compounds of general structure in which X and Y are each N or C with at least one of X and Y being N; Z is a single bond or an optionally substituted linking group R1 is hydrogen or a substituent group; R2 is amino or a substituent group; N* is amino when RI is hydrogen or =NH when R1 is a substituent group; or N* is a group NRaRb where Ra and Rb are independently H or an alkyl group; or N* is an optionally substituted piperazinyl ring; and A is an optionally substituted heterocyclic or carbocyclic ring system which may be linked to the triazo/diazo ring through R2 to form a fused multicyclic ring; are indicated as suitable for treatment of disorders in mammals that are susceptible to sodium channel blockers and antifolates, and particularly disorders such epilepsy, multiple sclerosis, glaucoma and uevitis, cerebral traumas and cerebral ischaemias, stroke, head injury, spinal cord injury, surgical trauma, neurodegenerative disorders, motorneurone disease, Alzheimer's disease, Parkinson's disease, chronic inflammatory pain, neuropathic pain, migraine, bipolar disorder, mood, anxiety and cognitive disorders, schizophrenia and trigeminal autonomic cephalalgias; for treatment of mammalian cancers; and for treatment of malaria.

  通用结构化合物，其中X和Y分别为N或C，至少X和Y中的一个为N；Z是单键或可选择性取代的连接基团；R1是氢或取代基团；R2是氨基或取代基团；N*是氨基，当R1为氢或=NH时，当R1为取代基团时；或N*是一个NRaRb基团，其中Ra和Rb分别为H或烷基基团；或N*是一个可选择性取代的哌嗪环；A是一个可选择性取代的杂环或碳环系统，可以通过R2与三唑/重氮环连接形成融合的多环环；适用于治疗对钠通道阻滞剂和抗叶酸类药物敏感的哺乳动物的疾病，特别是癫痫、多发性硬化、青光眼和葡萄膜炎、脑外伤和脑缺血、中风、头部损伤、脊髓损伤、手术创伤、神经退行性疾病、运动神经元疾病、阿尔茨海默病、帕金森病、慢性炎症性疼痛、神经病性疼痛、偏头痛、双相情感障碍、情绪、焦虑和认知障碍、精神分裂症和三叉神经自主性头痛；用于治疗哺乳动物癌症；以及用于治疗疟疾。
• Ink set
  申请人：Oki Yasuhiro

  公开号：US20050115458A1

  公开（公告）日：2005-06-02

  To provide an ink set capable of recording images with good ozone fastness on a recording medium, an ink set of the present invention comprises at least a yellow ink composition, a magenta ink composition, and a cyan ink composition. The cyan ink composition contains at least one of the compounds expressed by formula (1) below as a cyan dye: and the magenta ink composition contains, as a colorant, at least one substance selected from the group consisting of compounds expressed by formula (2) below: and salts thereof (in formula (2), A represents an alkylene group, an alkylene group containing a phenylene group, or a group expressed by formula (3) below: and X represents a group selected from the group consisting of NH 2 , OH, and Cl).

  为了提供一种能够在记录介质上记录具有良好臭氧快速性的图像的油墨组合，本发明的油墨组合包括至少一种黄色油墨组成、一种品红色油墨组成和一种青色油墨组成。其中，青色油墨组成包含以下式（1）中表示的至少一种化合物作为青色染料：品红色油墨组成包含以下式（2）中表示的至少一种物质作为着色剂：以及其盐（在式（2）中，A表示烷基、含苯基的烷基或以下式（3）表示的基团：X表示从NH2、OH和Cl组成的群中选择的群）。
• Ink Composition, and Ink Jet Recording Method and Recorded Matter Using the Same
  申请人：Hanmura Masahiro

  公开号：US20080047461A1

  公开（公告）日：2008-02-28

  Problem: To improve clogging and ink droplet deflection. Solving Means: An ink composition comprising at least water, a colorant and an aromatic compound having a carboxyl group, which contains at least one member selected from the group consisting of a sodium ion, a potassium ion and an ammonium ion and also contains a lithium ion. Alternatively, an ink composition comprising at least water, a specific cyan dye and an aromatic compound having a carboxyl group, which contains a lithium ion and also contains a sodium ion and/or a potassium ion.

  问题：改善堵塞和墨滴偏转。 解决方法：一种油墨组合物，包括至少水、一种色料和一种含有羧基的芳香化合物，其中包含从钠离子、钾离子和铵离子组成的群体中选择的至少一种成员，同时还含有锂离子。或者，一种油墨组合物，包括至少水、一种特定的青色染料和一种含有羧基的芳香化合物，其中包含锂离子，同时还含有钠离子和/或钾离子。
• CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS
  申请人：University of Greenwich

  公开号：US20140155403A1

  公开（公告）日：2014-06-05

  A method of treating a disorder. The method includes administering to a subject in need thereof a compound of formula (I): Each of A, N*, X, Y, Z, R1, and R2 is defined herein. Also disclosed are compounds of the formula and a pharmaceutical composition containing such a compound.

  一种治疗疾病的方法。该方法包括向需要治疗的受试者施用式（I）的化合物：其中A、N*、X、Y、Z、R1和R2均在此定义。还公开了该式的化合物和包含该化合物的制药组合物。