3-(2-苯基乙基)苯甲腈 | 34176-91-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: 3-(2-苯基乙基)苯甲腈
• 英文名称: 1-(3-cyanophenyl)-2-phenylethane
• 英文别名: m-Cyano-1,2-diphenylethan；1-m-Cyanphenyl-2-phenylaethan；3-(2-phenylethyl)benzonitrile
• CAS: 34176-91-5
• 化学式: C₁₅H₁₃N
• 分子量: 207.275
• InChiKey: YAGSUWLZZOQMMN-UHFFFAOYSA-N

物化性质

• 沸点：
  323.3±11.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 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：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2926909090

反应信息

• 作为产物：
  描述：

  苯乙基硼酸 、 3-cyanophenyl trifluoromethanesulfonate 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 potassium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 18.0h， 以93%的产率得到3-(2-苯基乙基)苯甲腈
  参考文献：
  名称：

  伯烷基硼酸与芳基三氟甲磺酸酯和芳基卤化物的交叉偶联反应

  摘要：

  在碳酸钾存在下，使用PdCl 2（dppf）·CH 2 Cl 2成功地实现了伯烷基硼酸与芳基三氟甲磺酸酯和芳基卤化物的交叉偶联反应，从而以高收率提供了相应的Suzuki偶联产物。

  DOI：

  10.1016/s0040-4020(02)00009-1

文献信息

• PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR
  申请人：SUMITOMO CHEMICAL COMPANY LIMITED

  公开号：EP0711762A1

  公开（公告）日：1996-05-15

  There are disclosed an industrially favorable process for producing a tetrazole compound of general formula (1): characterized in that a nitrile of general formula (2):         R¹CN     (2) is reacted with hydrazine or a salt thereof in the presence of a catalyst, followed by reaction with a nitrous acid compound of general formula (3):         ANO₂     (3) or a nitrile of general formula (2) is reacted with hydrogen sulfide, followed by reaction with an alkyl halide of general formula (4):         R⁴J     (4) with hydrazine or a salt thereof, and then with a nitrous acid compound of general formula (3); and an intermediate of general formula (5):         R¹C(=R⁵)R⁶     (5) which is useful for the production of the tetrazole compound (in which R¹ to R⁶, A and J in the above formulas are as defined in the specification).

  本发明公开了一种生产通式（1）四唑化合物的工业化生产工艺： 其特征在于，通式（2）的腈： R¹CN (2) 在催化剂存在下与肼或其盐反应，然后与通式(3)的亚硝酸化合物反应： ANO₂ (3) 或通式（2）的腈与硫化氢反应，然后与通式（4）的烷基卤化物反应： R⁴J (4) 与肼或其盐反应，然后与通式（3）的亚硝酸化合物反应；以及通式（5）的中间体： R¹C(=R⁵)R⁶ (5) 其中上述式中的 R¹ 至 R⁶、A 和 J 如说明书中所定义）。
• Aryl isonitrile compounds as a new class of potent, broad-spectrum antifungal compounds
  申请人：Purdue Research Foundation

  公开号：US10449174B2

  公开（公告）日：2019-10-22

  Invasive fungal infections present a formidable global public health challenge due to the limited number of approved antifungal agents and the emergence of resistance to the frontline treatment options, such as fluconazole. Three fungal pathogens of significant concern are Candida, Cryptococcus, and Aspergillus given their propensity to cause opportunistic infections in immunocompromised individuals. This disclosure provides a set of aryl isonitrile compounds that possess broad-spectrum antifungal activity primarily against species of Candida and Cryptococcus. The most potent derivatives are capable of inhibiting growth of these key pathogens at concentrations as low as 0.5 μM. Remarkably, the most active compounds exhibit an excellent safety profile and are non-toxic to mammalian cells even at concentrations up to 256 μM.

  由于获批的抗真菌药物数量有限，而且对氟康唑等一线治疗药物出现了抗药性，因此侵袭性真菌感染给全球公共卫生带来了严峻的挑战。由于白色念珠菌、隐球菌和曲霉菌容易引起免疫力低下人群的机会性感染，因此这三种真菌病原体备受关注。本公开提供了一组具有广谱抗真菌活性的芳基异腈化合物，主要针对念珠菌和隐球菌。最有效的衍生物能够在低至 0.5 μM 的浓度下抑制这些主要病原体的生长。值得注意的是，最有效的化合物具有极佳的安全性，即使浓度高达 256 μM 也不会对哺乳动物细胞产生毒性。
• PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS
  申请人：SUMITOMO CHEMICAL COMPANY LIMITED

  公开号：EP0711762B1

  公开（公告）日：2003-08-06
• ARYL ISONITRILE COMPOUNDS AS A NEW CLASS OF POTENT, BROAD-SPECTRUM ANTIFUNGAL COMPOUNDS
  申请人：Purdue Research Foundation

  公开号：US20170181997A1

  公开（公告）日：2017-06-29

  Invasive fungal infections present a formidable global public health challenge due to the limited number of approved antifungal agents and the emergence of resistance to the frontline treatment options, such as fluconazole. Three fungal pathogens of significant concern are Candida, Cryptococcus , and Aspergillus given their propensity to cause opportunistic infections in immunocompromised individuals. This disclosure provides a set of aryl isonitrile compounds that possess broad-spectrum antifungal activity primarily against species of Candida and Cryptococcus . The most potent derivatives are capable of inhibiting growth of these key pathogens at concentrations as low as 0.5 μM. Remarkably, the most active compounds exhibit an excellent safety profile and are non-toxic to mammalian cells even at concentrations up to 256 μM.
• US5874593A
  申请人：——

  公开号：US5874593A

  公开（公告）日：1999-02-23

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