benzyl 1-hydroxy-2-naphthoate | 900902-44-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: benzyl 1-hydroxy-2-naphthoate
• 英文别名: 1-hydroxy-[2]naphthoic acid benzyl ester；1-Hydroxy-[2]naphthoesaeure-benzylester；Benzyl 1-hydroxynaphthalene-2-carboxylate
• CAS: 900902-44-5
• 化学式: C₁₈H₁₄O₃
• 分子量: 278.307
• InChiKey: GGAGGAZFKBRFDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyl 1-hydroxy-2-naphthoate 生成 1-[(2-Diethylamino-ethylcarbamoyl)-methoxy]-naphthalene-2-carboxylic acid
  参考文献：
  名称：

  De Marchi,F. et al., Farmaco, Edizione Scientifica, 1973, vol. 28, p. 511 - 522

  摘要：

  DOI：
• 作为产物：
  描述：

  1-羟基-2-萘甲酸 在 氯化亚砜 、 Petroleum ether 作用下， 生成 benzyl 1-hydroxy-2-naphthoate
  参考文献：
  名称：

  77. 1-羟基-2-萘甲酸的酯和由其形成的萘酚蓝染料

  摘要：

  DOI：

  10.1039/jr9480000309

文献信息

• Design, Synthesis, Structure, and Dehydrogenation Reactivity of a Water-Soluble <i>o</i>-Iodoxybenzoic Acid Derivative Bearing a Trimethylammonium Group
  作者：Li-Qian Cui、Zhi-Lei Dong、Kai Liu、Chi Zhang

  DOI：10.1021/ol202777h

  日期：2011.12.16

  5-Trimethylammonio-1,3-dioxo-1,3-dihydro-1λ5-benzo[d][1,2]iodoxol-1-ol anion (AIBX 1a), an o-iodoxybenzoic acid (IBX) derivative having the trimethylammonium moiety on its phenyl ring, possesses very good solubility in water and distinct oxidative properties from IBX, which is demonstrated in the oxidation of various β-keto esters to the corresponding dehydrogenated products using water as cosolvent

  5-三甲基铵基- 1,3-二氧代-1,3-二氢- 1λ 5 -苯并[ d ] [1,2] iodoxol -1-醇阴离子（AIBX 1A），一个Ô -iodoxybenzoic苯甲酸（IBX）衍生物具有在其苯环上的三甲基铵部分在水中具有非常好的溶解性，并且具有与IBX不同的氧化性能，这在使用水作为助溶剂的各种β-酮酸酯氧化为相应的脱氢产物中得到了证明。由于AIBX 1a具有良好的水溶性，因此可以从反应混合物中轻松实现其再生。
• THERMAL RECORDING MATERIAL CONTAINING TRIS(2-METHYL- 4-HYDROXY-5-t-BUTYLPHENYL)BUTANE
  申请人：Tobita Etsuo

  公开号：US20100249466A1

  公开（公告）日：2010-09-30

  A thermal recording material of the invention contains, as a storability improver, tris(2-methyl-4-hydroxy-5-t-butylphenyl)butane trapping and containing water and/or methanol and having a crystal structure that shows a maximum X-ray diffraction peak at a diffraction angle 2θ of 6.58° according to X-ray diffraction measurement using an X ray having a wavelength of a Cu—Kα line. The recording material has improved heat resistance in non-printing sections while maintaining the moisture-and-heat resistance in printing sections. The thermal recording material of the invention has a thermal-recording layer that contains the tris(2-methyl-4-hydroxy-5-t-butylphenyl)butane in an amount of preferably 0.1 to 15% by mass with respect to the thermal-recording layer. The amount of the water and/or methanol trapped and contained in the tris(2-methyl-4-hydroxy-5-t-butylphenyl)butane is preferably 0.1 to 10% by mass in total.

  该发明的热记录材料中包含一种作为稳定性改进剂的三(2-甲基-4-羟基-5-叔丁基苯基)丁烷，用于捕获和含有水和/或甲醇，并具有晶体结构，根据使用波长为Cu-Kα线的X射线衍射测量，在衍射角2θ为6.58°处显示最大X射线衍射峰。该记录材料在非打印部分具有改进的耐热性，同时保持打印部分的耐潮湿和耐热性。该发明的热记录材料具有热记录层，其中三(2-甲基-4-羟基-5-叔丁基苯基)丁烷的含量最好为热记录层的质量百分比0.1至15%。三(2-甲基-4-羟基-5-叔丁基苯基)丁烷中捕获和含有的水和/或甲醇的量最好总质量百分比为0.1至10%。
• Discovery of carbamate-based salicylic acid derivatives as novel cholinesterase inhibitor
  作者：Yuying Wang、Lin Long、Quanwei Yu、Honghua Zhang、Xuelin Li、Linsheng Zhuo、Shuzhi Wang、Zhen Wang

  DOI：10.1016/j.molstruc.2022.134804

  日期：2023.3

  Cholinesterase inhibition is a clinically validated therapeutic approach for treatment of Alzheimer's disease (AD). A series of salicylic acid-based ChE inhibitors bearing carbamate group were designed and synthesized based on the principle of active substructure splicing. Among them, compounds 3l (IC50, eqBChE = 1.06 µM, IC50, eeAChE = 2.08 µM) and 3t (IC50, eqBChE = 0.82 µM, IC50, eeAChE = 2.38 µM)

  胆碱酯酶抑制是一种经过临床验证的治疗阿尔茨海默病 (AD) 的治疗方法。基于活性子结构剪接原理，设计合成了一系列带有氨基甲酸酯基团的水杨酸类胆碱酯酶抑制剂。其中，化合物3l (IC 50 , eq BChE  = 1.06 µM, IC 50 , ee AChE  = 2.08 µM)和3t (IC 50 , eq BChE  = 0.82 µM, IC 50 , ee AChE = 2.38 µM) 与其他化合物相比表现出更有效的双重 AChE/BChE 抑制活性。计算模型结果表明，化合物3l和3t可以通过氢键和 π-π 堆积相互作用与胆碱酯酶结合。此外，它们在小鼠海马 HT22 细胞中显示出有效的神经保护特性和抗凋亡作用。重要的是，小鼠的细胞毒性和急性毒性测定 (1000 mg/kg) 证实化合物3l和3t具有可接受的安全性。3l和3t _通过酶水平和细胞水平的评估鉴定，有望成为开发双重
• Access to Naphthoic Acid Derivatives through an Oxabenzonorbornadiene Rearrangement
  作者：Daniel Lücke、Alexander S. Campbell、Martin Petzold、Richmond Sarpong

  DOI：10.1021/acs.orglett.3c02823

  日期：2023.10.13

  Herein, the synthesis of 1-hydroxy-2-naphthoic acid esters through an unexpected Lewis-acid-mediated 1,2-acyl shift of oxabenzonorbornadienes is reported. Using this methodology, novel substitution patterns for 1-hydroxy-2-naphtoic acid esters can be obtained. A mechanistic proposal and rationale for this transformation, the products of which had been previously incorrectly characterized, is given

  在此，报道了通过意想不到的路易斯酸介导的氧苯并降冰片二烯的1,2-酰基转移来合成1-羟基-2-萘甲酸酯。使用这种方法，可以获得 1-羟基-2-萘酸酯的新型取代模式。给出了这种转变的机械建议和基本原理，其产物以前被错误地描述过。
• CURABLE ORGANOPOLYSILOXANE RELEASE AGENT COMPOSITION FOR THERMAL PAPER, THERMAL PAPER, AND THERMAL RECORDING LABEL SHEET
  申请人：Dow Toray Co., Ltd.

  公开号：EP3719096A1

  公开（公告）日：2020-10-07

  [PROBLEM] To provide a curable organopolysiloxane releasing agent composition for a thermally sensitive paper wherein a releasing layer that has high adhesion and a good peeling force that is cured quickly at a low temperature without producing curing failures when coated on a thermally sensitive coloring layer, and that is resistant to gellification at room temperature, and that has superior ease of handling, can be formed, and relates to a thermally sensitive paper and a thermally sensitive printing label sheet that uses the same, etc. [MEANS FOR RESOLUTION] The use of a curable organopolysiloxane releasing agent composition for a thermally sensitive paper that includes: (A) one or more types of organopolysiloxanes having an alkenyl group with a number of carbon atoms between 4 and 12, where the inclusion proportion of the vinyl (CH2 = CH-) within the alkenyl group is between 0.5 and 3.0 mass %; (B) an organohydrodiene polysiloxane having at least two silicon-bonded hydrogen atoms (Si-H) in a single molecule; (C) a hydrosilylation reaction catalyst; and (D) a hydrosilylation reaction inhibiting agent, wherein: the silicon atom-bonded hydrogen atoms within the (B) component is in an amount in a range of between 1.0 and 4.0 moles per one mole of carbon-carbon double bonds in the (A) component.

  问题 提供一种用于热敏纸的可固化有机聚硅氧烷离型剂组合物，在该组合物中，可以形成涂布在热敏着色层上时具有高附着力和良好剥离力的离型层，该离型层在低温下快速固化，不会产生固化失败，并且在室温下耐胶凝，具有优异的易操作性，还涉及使用该组合物的热敏纸和热敏印刷标签纸等。 [解决方法］ 将可固化有机聚硅氧烷释放剂组合物用于热敏纸，该组合物包括：(A) 一种或多种类型的有机聚硅氧烷，其具有碳原子数在 4 至 12 之间的烯基，其中烯基内乙烯基（CH2 = CH-）的包含比例在 0.5 至 3.0质量％；(B)有机氢二烯聚硅氧烷，其单个分子中至少具有两个硅键氢原子(Si-H)；(C)加氢硅烷化反应催化剂；以及(D)加氢硅烷化反应抑制剂，其中：(B)组分内硅原子键合氢原子的数量范围为(A)组分中每1摩尔碳碳双键含有1.0至4.0摩尔。