α-Phenyl-benzylidenaminoguanidin | 4353-44-0

• 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: α-Phenyl-benzylidenaminoguanidin
• 英文别名: Benzophenon-guanylhydrazon；2-(Diphenylmethylene)hydrazinecarboximidamide；2-(benzhydrylideneamino)guanidine
• CAS: 4353-44-0
• 化学式: C₁₄H₁₄N₄
• 分子量: 238.292
• InChiKey: DARIECBAYUCTAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76.8
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  (E)-肉桂酸苯酯 、 α-Phenyl-benzylidenaminoguanidin 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以40.4%的产率得到(2E)-N-{[2-(diphenylmethylene)hydrazino](imino)methyl}-3-phenylacrylamide
  参考文献：
  名称：

  Novel molecular hybrids of cinnamic acids and guanylhydrazones as potential antitubercular agents

  摘要：

  In an attempt to identify potential new agents active against tuberculosis, 20 novel phenylacrylamide derivatives incorporating cinnamic acids and guanylhydrazones were synthesized using microwave assisted synthesis. Activity of the synthesized compounds was evaluated using resazurin microtitre plate assay (REMA) against Mycobacterium tuberculosis H37Rv. Based on empirical structure-activity relationship data it was observed that both steric and electronic parameters play major role in the activity of this series of compounds. Compound 7s (2E)-N-((-2-(3,4-dimethoxybenzylidene) hydrazinyl) (imino) methyl)-3-(4-methoxyphenyl) acrylamide showed MIC of 6.49 mu M along with good safety profile of >50-fold in VERO cell line. Thus, this compound could act as a potential lead for further antitubercular studies. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.031
• 作为产物：
  描述：

  二苯甲酮 、 肼甲酰亚胺酰胺一氯化氢 以 溶剂黄146 为溶剂， 生成 α-Phenyl-benzylidenaminoguanidin
  参考文献：
  名称：

  芳族酮的guan盐的抗疟活性。I.主要寻找活性取代基图案。

  摘要：

  DOI：

  10.1021/jm00301a006

文献信息

• ALKYLIDENE AMINOGUANIDINE AND SALT THEREOF, MODIFYING COMPOSITION, MODIFIED RUBBER FOR TIRE, RUBBER COMPOSITION FOR TIRE, AND TIRE
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：US20170129850A1

  公开（公告）日：2017-05-11

  Provided is a compound represented by formula (1): wherein X is an acid to form a salt with a guanidine site; and R 1 and R 2 are each independently any selected from the group consisting of a hydrogen atom, a C 1-18 alkyl group, a cycloalkyl group, an aryl group, an alkylaryl group, and an alkenyl group, each of the groups optionally having one or more substituents each containing a sulfur atom, a nitrogen atom, or an oxygen atom.

  提供的化合物由以下式表示： 其中X是一种酸，用于与胍位形成盐；而R1和R2分别独立地选自以下组合：氢原子、C1-18烷基、环烷基、芳基、烷基芳基和烯基，每种基团可选地具有一个或多个含有硫原子、氮原子或氧原子的取代基。
• ALKYLIDENE AMINOGANIDINE AND SALT THEREOF, MODIFIER COMPOSITION, MODIFIED RUBBER FOR TIRE, RUBBER COMPOSITION FOR TIRE, AND TIRE
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：EP3156394A1

  公开（公告）日：2017-04-19

  Provided is a compound represented by formula (1): wherein X is an acid to form a salt with a guanidine site; and R1 and R2 are each independently any selected from the group consisting of a hydrogen atom, a C1-18 alkyl group, a cycloalkyl group, an aryl group, an alkylaryl group, and an alkenyl group, each of the groups optionally having one or more substituents each containing a sulfur atom, a nitrogen atom, or an oxygen atom.

  本发明提供了一种由式（1）表示的化合物： 其中 X 是一种酸，可与胍基点形成盐；R1 和 R2 各自独立地任意选自氢原子、C1-18 烷基、环烷基、芳基、烷芳基和烯基组成的组，每个基团可选择具有一个或多个取代基，每个取代基含有一个硫原子、一个氮原子或一个氧原子。
• VULCANIZED RUBBER COMPOSITION AND PRODUCTION PROCESS THEREFOR
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：EP3508516A1

  公开（公告）日：2019-07-10

  Provided is a method for producing a vulcanized rubber composition, including: a first kneading step of obtaining a kneaded mixture comprising a rubber component comprising at least one selected from the group consisting of natural rubbers and synthetic rubbers, a filler comprising an inorganic filler, and a sulfur-containing silane coupling agent; a second kneading step of adding sulfur and a vulcanization accelerator to the kneaded mixture, followed by kneading, to thereby obtain an unvulcanized rubber composition; and a vulcanization step of vulcanizing the unvulcanized rubber composition to thereby obtain a vulcanized rubber composition having a glass transition temperature of -30°C to 0°C by; wherein specific aminoguanidines are added, followed by kneading, in the first kneading step.

  提供了一种生产硫化橡胶组合物的方法，包括第一捏合步骤，获得一种捏合混合物，该混合物包含一种橡胶成分，该橡胶成分至少包含一种选自由天然橡胶和合成橡胶组成的组、一种包含无机填料的填料和一种含硫硅烷偶联剂的填料；第二捏合步骤，向捏合混合物中添加硫磺和一种硫化促进剂，然后进行捏合，从而获得一种未硫化橡胶组合物；以及硫化步骤，硫化未硫化橡胶组合物，从而获得玻璃化转变温度为-30°C 至 0°C的硫化橡胶组合物；其中，在第一捏合步骤中加入特定的氨基胍，然后进行捏合。
• Alkylidene aminoguanidine and salt thereof, modifying composition, modified rubber for tire, rubber composition for tire, and tire
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：US10173973B2

  公开（公告）日：2019-01-08

  Provided is a compound represented by formula (1): wherein X is an acid to form a salt with a guanidine site; and R1 and R2 are each independently any selected from the group consisting of a hydrogen atom, a C1-18 alkyl group, a cycloalkyl group, an aryl group, an alkylaryl group, and an alkenyl group, each of the groups optionally having one or more substituents each containing a sulfur atom, a nitrogen atom, or an oxygen atom.

  本发明提供了一种由式（1）表示的化合物： 其中 X 是一种酸，可与胍基点形成盐；R1 和 R2 各自独立地任意选自氢原子、C1-18 烷基、环烷基、芳基、烷芳基和烯基组成的组，每个基团可选择具有一个或多个取代基，每个取代基含有一个硫原子、一个氮原子或一个氧原子。
• Vulcanized rubber composition and production method thereof
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：US10246526B2

  公开（公告）日：2019-04-02

  Provided is a method for producing a vulcanized rubber composition, including: a first kneading step of obtaining a kneaded mixture comprising a rubber component comprising at least one selected from the group consisting of natural rubbers and synthetic rubbers, a filler comprising an inorganic filler, and a sulfur-containing silane coupling agent; a second kneading step of adding sulfur and a vulcanization accelerator to the kneaded mixture, followed by kneading, to thereby obtain an unvulcanized rubber composition; and a vulcanization step of vulcanizing the unvulcanized rubber composition to thereby obtain a vulcanized rubber composition having a glass transition temperature of −30° C. to 0° C. by; wherein specific aminoguanidines are added, followed by kneading, in the first kneading step.

  提供了一种生产硫化橡胶组合物的方法，包括第一捏合步骤：获得一种捏合混合物，该混合物包含一种橡胶成分，该橡胶成分至少包含选自由天然橡胶和合成橡胶组成的组中的一种；一种填料，该填料包含一种无机填料；以及一种含硫硅烷偶联剂；第二捏合步骤，在捏合混合物中加入硫磺和硫化促进剂，然后进行捏合，从而获得未硫化橡胶组合物；以及硫化步骤，硫化未硫化橡胶组合物，从而获得硫化橡胶组合物，其玻璃化转变温度为 -30°C 至 0°C。至 0 摄氏度的硫化步骤；其中在第一混炼步骤中加入特定的氨基胍，然后进行混炼。