2-(溴甲基)-[1,1-联苯]-4-甲腈 | 146534-79-4

• 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: 2-(溴甲基)-[1,1-联苯]-4-甲腈
• 英文名称: 2'-Bromomethyl-biphenyl-4-carbonitrile
• 英文别名: 2'-(Bromomethyl)-[1,1'-Biphenyl]-4-Carbonitrile；4-[2-(bromomethyl)phenyl]benzonitrile
• CAS: 146534-79-4
• 化学式: C₁₄H₁₀BrN
• 分子量: 272.144
• InChiKey: ATZRSESSYSPQTH-UHFFFAOYSA-N

物化性质

• 沸点：
  411.8±38.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(溴甲基)-[1,1-联苯]-4-甲腈 在 copper(l) iodide 、 四丁基碘化铵 、 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 2'-(prop-2-yn-1-yl)-[1,1'-biphenyl]-4-carbonitrile
  参考文献：
  名称：

  黄金催化的6-Exo-Dig环异构化：一种多功能的官能化菲的方法

  摘要：

  已经开发了一种新型的金催化的邻炔丙基联芳基的6- exo - dig环异构化方法，该方法可以方便地获得官能化的菲，而且收率大体上很高。该方法的显着特征是易于获得的起始原料，温和的反应条件和广泛的底物范围。

  DOI：

  10.1002/asia.201400034
• 作为产物：
  描述：

  2-甲基[1,1-联苯]-4-甲腈 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 生成 2-(溴甲基)-[1,1-联苯]-4-甲腈
  参考文献：
  名称：

  Design, synthesis and structure–Activity relationships of benzoxazinone-Based factor Xa inhibitors

  摘要：

  A series of benzoxazinone derivatives was designed and synthesized as factor Xa inhibitors. We demonstrated that the naphthyl moiety in the aniline-based compounds I and 2 can be replaced with benzene-fused heterobicycles and biaryls to give factor Xa inhibitors with improved trypsin selectivity. The P4 modifications lead to monoamidines which are moderately active. The benzoxazinones 41-45 are potent against factor Xa, retain the improved trypsin selectivity of the corresponding aniline-based compounds, and show strong antithrombotic effect dose responsively. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00927-7

文献信息

• Crystal and process for producing the same
  申请人：——

  公开号：US20040215023A1

  公开（公告）日：2004-10-28

  A process for producing crystals of 2-ethoxy-1-[[2′-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1H-benzimdazole-7-carboxylic acid (compound (I)), characterized by dissolving or suspending the compound (I) or a salt thereof in a solvent comprising an aprotic polar solvent and crystallizing it. By the process, the contaminants which are contained in the compound (I) or its salt and are difficult to remove, such as tin compounds, analogues of the compound (I), and a residual organic solvent, can be easily removed. Crystals of the compound (I) can be efficiently and easily mass-produced in high yield on an industrial scale.

  生产2-乙氧基-1-[[2'-(1H-四唑-5-基)联苯-4-基]甲基]-1H-苯并咪唑-7-羧酸晶体的方法，其特征在于将化合物（I）或其盐溶解或悬浮于包含无水极性溶剂的溶剂中，然后结晶。该方法可以轻松去除化合物（I）或其盐中难以去除的杂质，例如锡化合物、化合物（I）的类似物和残留的有机溶剂。化合物（I）的晶体可以在工业规模上高效且容易地大量生产。
• Crystal of 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylic acid and process for producing the same
  申请人：Hashimoto Hideo

  公开号：US20080182994A1

  公开（公告）日：2008-07-31

  A process for producing crystals of 2-ethoxy-1-[[2′-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylic acid (compound (I)), characterized by dissolving or suspending the compound (I) or a salt thereof in a solvent comprising an aprotic polar solvent and crystallizing it. By the process, the contaminants which are contained in the compound (I) or its salt and are difficult to remove, such as tin compounds, analogues of the compound (I), and a residual organic solvent, can be easily removed. Crystals of the compound (I) can be efficiently and easily mass-produced in high yield on an industrial scale.

  一种制备2-乙氧基-1-[[2'-(1H-四唑-5-基)联苯-4-基]甲基]-1H-苯并咪唑-7-羧酸晶体（化合物（I））的方法，其特征在于将化合物（I）或其盐溶解或悬浮在包含无水极性溶剂的溶剂中，并结晶。通过该方法，化合物（I）或其盐中难以去除的污染物，如锡化合物，化合物（I）的类似物和残留的有机溶剂，可以轻松去除。化合物（I）的晶体可以在工业规模上高效且容易地大量生产。
• Production method of aminobenzene compound
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0881212A1

  公开（公告）日：1998-12-02

  The present invention is to provide an industrially useful production method of an aminobenzene compound represented by the formula: which is characterized by reacting a mixture of a mono-halogeno compound represented by the formula: and di-halogeno compound represented by the formula: with a compound of the formula:

  本发明旨在提供一种工业上有用的由式表示的氨基苯化合物的生产方法： 其特征在于，由式 和二卤代化合物的混合物进行反应： 与式
• CRYSTAL AND PROCESS FOR PRODUCING THE SAME
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1420016A1

  公开（公告）日：2004-05-19

  A process for producing crystals of 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1H-benzimdazole-7-carboxylic acid (compound (I)), characterized by dissolving or suspending the compound (I) or a salt thereof in a solvent comprising an aprotic polar solvent and crystallizing it. By the process, the contaminants which are contained in the compound (I) or its salt and are difficult to remove, such as tin compounds, analogues of the compound (I), and a residual organic solvent, can be easily removed. Crystals of the compound (I) can be efficiently and easily mass-produced in high yield on an industrial scale.

  一种生产 2-乙氧基-1-[[2'-(1H-四唑-5-基)联苯-4-基]甲基]-1H-苯并咪唑-7-羧酸（化合物(I)）晶体的工艺，其特征在于将化合物(I)或其盐溶解或悬浮在由钝极性溶剂组成的溶剂中并使其结晶。通过该工艺，化合物（I）或其盐中含有的难以去除的杂质，如锡化合物、化合物（I）的类似物和残留的有机溶剂，可以很容易地去除。化合物(I)的结晶可在工业规模上高效、高产地大量生产。
• US6177587B1
  申请人：——

  公开号：US6177587B1

  公开（公告）日：2001-01-23