1,4-苯二甲酸氢1-丁酯 | 1818-06-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,4-苯二甲酸氢1-丁酯
• 英文名称: 1,4-benzenedicarboxylic acid monobutyl ester
• 英文别名: Terephthalic acid mono-n-butyl ester；terephthalic acid monobutyl ester；4-(butoxycarbonyl)benzoic acid；Terephthalsaeure-monobutylester；Terephthalbutylestersaeure；Mono-p-butyl-terephthalat；1,4-Benzenedicarboxylic acid, monobutyl ester；4-butoxycarbonylbenzoic acid
• CAS: 1818-06-0
• 化学式: C₁₂H₁₄O₄
• mdl: MFCD00807011
• 分子量: 222.241
• InChiKey: QLUQHFODHZKSDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  1,4-苯二甲酸氢1-丁酯 在 硫酸 、 硝酸 作用下， 反应 3.0h， 以70%的产率得到4-(butoxycarbonyl)-3-nitrobenzoic acid
  参考文献：
  名称：

  Fahim, Asmaa M.; Yakout, El-Sayed M.A.; Ragab, Eman A., Egyptian Journal of Chemistry, 2016, vol. 59, # 3, p. 285 - 303

  摘要：

  DOI：
• 作为产物：
  描述：

  对苯二甲酸二丁酯 在 氢氧化钾 作用下， 生成 1,4-苯二甲酸氢1-丁酯
  参考文献：
  名称：

  Cohen; de Pennington, Journal of the Chemical Society, 1918, vol. 113, p. 63

  摘要：

  DOI：

文献信息

• Ionic liquids as solvent for efficient esterification of carboxylic acids with alkyl halides
  作者：YETKİN GÖK、BÜLENT ALICI、ENGİN ÇETİNKAYA、İSMAİL ÖZDEMİR、ÖZLEM ÖZEROĞLU

  DOI：10.3906/kim-0904-39

  日期：——

  The selective esterification of carboxylic acid derivatives with a variety of alkyl halides was carried out using ionic liquid as solvent in the presence of triethylamine. The reaction was found to proceed under relatively mild conditions with excellent conversions (up to 99%) and selectivities. The ionic liquid was recycled and reused.

  选择性酯化羧酸衍生物与多种烷基卤化物在三乙胺存在下使用离子液体作为溶剂进行。该反应在相对温和的条件下进行，具有极佳的转化率（高达99%）和选择性。离子液体可以回收并重复使用。
• [EN] IMPROVEMENTS IN OR RELATING TO PLASTICISER ESTERS<br/>[FR] AMÉLIORATIONS APPORTÉES OU SE RAPPORTANT À DES ESTERS PLASTIFIANTS
  申请人：EXXONMOBIL CHEM PATENTS INC

  公开号：WO2014195055A1

  公开（公告）日：2014-12-11

  Terephthalic acid di-alkyl esters in which the alkyl groups of the ester are obtained from branched C5 to C13 alcohols or mixtures of mixtures of C5 to C13 linear and branched alcohols in which less than 50 mole % of the alcohols are linear alcohols and the branched chain alkyl groups of such alcohols contain methyl groups and have an average of more than 7 carbon atoms and are free of ethyl groups. The di-esters are particularly useful as plasticizers and particularly plasticizers for polyvinyl chloride.

  苯二甲酸二烷基酯，其中酯的烷基来自于支链C5到C13醇或混合物，其中不到50摩尔％的醇为直链醇，这些醇的支链烷基含有甲基，平均含有超过7个碳原子并且不含乙基基团。这些二酯尤其适用于增塑剂，特别是聚氯乙烯的增塑剂。
• NOVEL TRIAZINE COMPOUND AND SYNTHETIC RESIN COMPOSITION USING SAME
  申请人：ADEKA CORPORATION

  公开号：US20170327475A1

  公开（公告）日：2017-11-16

  A novel compound excellent in heat resistance, resistance to volatilization, and compatibility with a resin component and useful as a UV absorber and a synthetic resin composition containing the compound are provided. Specifically provided are a triazine compound of general formula (1), preferably general formula (2) and a synthetic resin composition containing 0.001 to 20 parts by mass of the compound per 100 parts by mass of a synthetic resin. The details of formulae (1) and (2) are as defined in the description.

  提供了一种在耐热性、抗挥发性和与树脂成分的相容性方面表现出色的新型化合物，可用作紫外线吸收剂和含有该化合物的合成树脂组合物。具体提供的是一般式（1）的三嗪化合物，优选一般式（2）的化合物和含有该化合物每100份合成树脂中0.001至20质量份的合成树脂组合物。一般式（1）和（2）的细节如描述中定义。
• Photochromic electrophoretic ink display
  申请人：Xerox Corporation

  公开号：US20030002132A1

  公开（公告）日：2003-01-02

  Disclosed is an electrophoretic ink comprising a suspending fluid and, suspended in the suspending fluid, a plurality of particles comprising a mixture of a chelating agent and a spiropyran material of the formula 1 wherein n is an integer representing the number of repeat —CH 2 — units and R is —H or —CH═CH 2 , the particles being free to migrate within the suspending fluid under the influence of an electric field.

  本发明涉及一种电泳墨水，其包括悬浮液和悬浮在悬浮液中的多种粒子，其中包括螯合剂和化学式1中的螺环吲哚材料的混合物，其中n是表示重复的—CH2—单位数的整数，R是—H或—CH═CH2，这些粒子在电场的影响下可以自由迁移于悬浮液中。
• ELECTROCHROMIC MATERIAL
  申请人：Nagamura Toshihiko

  公开号：US20110149367A1

  公开（公告）日：2011-06-23

  The present invention relates to an electrochromic polymer compound composed of a hyperbranched polymer having electrochromic characteristics derived from a quaternary pyridinium salt, a terephthalic acid diester or a biphenyl-4,4′-diester structure, and a varnish, a thin film structure and an electrochromic device that are obtained by the polymer compound. The electrochromic material has high response speed, high coloring efficiency, and excellent repetition stability and can be used for a long time, and has excellent solubility in various solvents.

  本发明涉及一种电致变色聚合物化合物，由四级吡啶盐、对苯二甲酸二酯或联苯-4,4'-二酯结构的超支化聚合物具有电致变色特性，以及所得到的清漆、薄膜结构和电致变色装置。该电致变色材料具有高响应速度、高着色效率和优异的重复稳定性，可长时间使用，并在各种溶剂中具有优异的溶解性。