5-benzyl-2-hydroxy-3-methyl-benzoic acid | 21251-98-9

• 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: 5-benzyl-2-hydroxy-3-methyl-benzoic acid
• 英文别名: 5-Benzyl-2-hydroxy-3-methyl-benzoesaeure；5-Benzyl-2-hydroxy-3-methylbenzoic acid
• CAS: 21251-98-9
• 化学式: C₁₅H₁₄O₃
• 分子量: 242.274
• InChiKey: RFKNBSDIQLCADD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-benzyl-2-hydroxy-3-methyl-benzoic acid 、 2,4-二氯苯胺 在 三氯化磷 作用下， 以 氯苯 为溶剂， 反应 5.0h， 以81%的产率得到5-benzyl-N-(2,4-dichlorophenyl)-2-hydroxy-3-methylbenzamide
  参考文献：
  名称：

  Potentiation of fasciolicidal agents by benzoyl side chains, synthesis of benzoylsalicylanilides

  摘要：

  The synthesis and potent fasciolicidal activity of novel salicylanilides, with benzoyl substituents in the salicyl ring, is described. Several compounds surpassed the activity of commercially used flukicides against Fasciola hepatica infections in rats. Compounds 10, 11, and 15 were poorly active against the parasite in sheep and inactive in infected calves. It is concluded that the benzoyl substituents potentiate antiparasitic action by virtue of their electron-withdrawing properties rather than by advantageous protein binding at parasite receptor sites. Poor activity in sheep is ascribed to in vivo reduction of the carbonyl in the benzoyl group of the anilides.

  DOI：

  10.1021/jm00379a025
• 作为产物：
  描述：

  5-氯甲基-2-羟基-3-甲基-苯甲酸 在 zinc(II) chloride 、 苯 作用下， 生成 5-benzyl-2-hydroxy-3-methyl-benzoic acid
  参考文献：
  名称：

  DE500438

  摘要：

  公开号：

文献信息

• RECORDING MATERIAL PRODUCED USING NON-PHENOL COMPOUND
  申请人：NIPPON SODA CO., LTD.

  公开号：US20150284321A1

  公开（公告）日：2015-10-08

  An object of the present invention is to provide a recording material or a recording sheet using, as a color-developing agent, a non-phenol compound that is a safe compound in no danger of corresponding to an endocrine disruptor and is good in color developing performance. The non-phenol compound used in the present invention is at least one selected from the group consisting of compounds represented by the following formulas (I) to (III).

  本发明的目的是提供一种使用非酚类化合物作为显色剂的记录材料或记录纸，该非酚类化合物是一种安全化合物，不会对应到内分泌干扰物，并且在显色性能方面表现良好。本发明中使用的非酚类化合物至少选自以下化合物所代表的化合物组，其化学式为(I)至(III)。
• RECORDING MATERIAL COMPRISING DIPHENYL SULFONE DERIVATIVE AND NOVEL DIPHENYL SULFONE DERIVATIVE COMPOUND
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1557408A1

  公开（公告）日：2005-07-27

  The present invention provides a recording material which has excellent background stability, specifically heat resistance and heat and humidity resistance of the background. The recording material containing a color forming dye is characterized by containing at least one kind of diphenylsulfone derivative represented by the general formula (I): (wherein R1 and R2 each represents a hydrogen atom or a C1 to C6 alkyl group, n represents an integer of 1 to 6, R3 and R4 each represents a halogen atom, a C1 to C6 alkyl group, etc., p and q each represents an integer of 0 to 4, X represents OR5 or NR6R7 wherein R5 represents a C1 to C6 alkyl group, a C1 to C6 hydroxyalkyl group, or a C1 to C6 alkoxy-C1 to C6 alkyl group, and R6 and R7 each represents a hydrogen atom, a C1 to C6 alkyl group, etc).

  本发明提供了一种具有优异背景稳定性的记录材料，特别是具有优异的耐热性和耐热潮湿性的背景。含有一种颜色形成染料的记录材料的特征在于其至少含有一种由通式（I）表示的二苯砜衍生物：（其中R1和R2分别表示氢原子或C1至C6烷基，n表示1至6的整数，R3和R4分别表示卤素原子、C1至C6烷基等，p和q分别表示0至4的整数，X表示OR5或NR6R7，其中R5表示C1至C6烷基、C1至C6羟基烷基或C1至C6烷氧基-C1至C6烷基，R6和R7分别表示氢原子、C1至C6烷基等）。
• COLOR DEVELOPING COMPOSITION CONTAINING MOLECULAR COMPOUND, AND RECORDING MATERIAL
  申请人：Kodama Satoshi

  公开号：US20110120345A1

  公开（公告）日：2011-05-26

  Provided is a color-developing composition containing a molecular compound which has as a component compound a compound represented by formula (I) [wherein Y represents a C1-C12 hydrocarbon group which is chained or branched and saturated or unsaturated, or a C1-C8 hydrocarbon group which is chained or branched, saturated or unsaturated and has an ether or thioether bond; R 1 , R 2 , R 3 and R 4 each independently represent a C1-C6 alkyl group or C2-C6 alkenyl group; n, p, q and r each represents any integer of 0 to 4; and m represents any integer of 0 to 2]. Also provided is a recording material with a sufficient color-forming sensitivity, superior storage stability, and especially with an extremely little background fogging in a heat resistance test.

  提供的是一种含有分子化合物的彩色显影组合物，该分子化合物的组分包括由式（I）表示的化合物[其中Y表示链状或支链的C1-C12烃基，饱和或不饱和，或链状或支链的C1-C8烃基，饱和或不饱和，且具有醚或硫醚键；R1、R2、R3和R4各自独立地表示C1-C6烷基或C2-C6烯基；n、p、q和r各自表示0至4的任意整数；m表示0至2的任意整数]。还提供了一种具有足够的显色敏感性、优异的储存稳定性，特别是在耐热性测试中具有极少背景雾化的记录材料。
• Phenolic compound and recording material containing the same
  申请人：Hidaka Tomoya

  公开号：US20050096222A1

  公开（公告）日：2005-05-05

  An object of the present invention is to provide a novel phenolic compound, and a recording material containing the same, which is excellent in storage stability. The object can be achieved by a phenolic compound represented by the formula (I): [wherein m represents an integer of 0 to 2; R 1 and R 2 each independently represents a C1-C6 alkyl group or a C1-C6 alkoxy group; p and q each independently represents an integer of 0 to 4; t and u each independently represents 0 or 1 and do not simultaneously represent 0; and X represents a group represented by any of the formulas (II) to (VII): (wherein R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 and R 11 each independently represents a hydrogen atom or a C1-C6 alkyl group; a represents an integer of 1 to 6; b represents an integer of 0 to 4; and c represents an integer of 0 to 6)] and a recording material containing the same.

  本发明的目的是提供一种新的酚类化合物和含有该化合物的记录材料，其具有良好的储存稳定性。所述目的可以通过由式（I）表示的酚类化合物实现：[其中，m表示0到2的整数；R1和R2各自独立地表示C1-C6烷基或C1-C6烷氧基；p和q各自独立地表示0到4的整数；t和u各自独立地表示0或1且不同时表示0；X表示由式（II）到（VII）中任意一种表示的基团：[其中，R3、R4、R5、R6、R7、R8、R9、R10和R11各自独立地表示氢原子或C1-C6烷基；a表示1到6的整数；b表示0到4的整数；c表示0到6的整数]，以及含有该化合物的记录材料。
• Novel compound for color-producing composition, and recording material
  申请人：——

  公开号：US20010044553A1

  公开（公告）日：2001-11-22

  A urea-urethane compound having one or more urea groups and one or more urethane groups in the molecular structure, the number of said urea groups (A) and the number of said urethane groups (B) satisfying the following numerical formula: 10≧( A+B )≧3 wherein each of A and B is an integer of 1 or more.

  分子结构中含有一个或多个脲基和一个或多个脲酯基的脲酯化合物，其中所述脲基（A）的数量和所述脲酯基（B）的数量满足以下数值公式：10≤(A+B)≤3 ，其中A和B均为1或更多的整数。