2-methyl-3,3-diphenylpropanenitrile | 22101-23-1

• 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: 2-methyl-3,3-diphenylpropanenitrile
• 英文别名: 2-methyl-3,3-diphenylacrylonitrile；2-methyl-3,3-diphenyl-acrylonitrile；2-Methyl-3,3-diphenyl-acrylonitril；2-Methyl-3.3-diphenyl-acrylsaeurenitril；1,1-Diphenyl-2-methyl-2-cyan-ethylen；2-Methyl-3,3-diphenylacrylnitril；2-Methyl-3,3-diphenylprop-2-enenitrile
• CAS: 22101-23-1
• 化学式: C₁₆H₁₃N
• 分子量: 219.286
• InChiKey: LZSVFISGNDLTMZ-UHFFFAOYSA-N

物化性质

• 熔点：
  74-76 °C
• 沸点：
  343.4±11.0 °C(Predicted)
• 密度：
  1.061±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 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-methyl-3,3-diphenylpropanenitrile 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 0.5h， 生成 2-methyl-3,3-diphenyl-2-propen-1-amine
  参考文献：
  名称：

  Synthesis and histamine H2 agonistic activity of arpromidine analogues: replacement of the pheniramine-like moiety by non-heterocyclic groups

  摘要：

  Analogues of the potent histamine H-2 agonist arpromidine, characterized by non-heterocyclic groups (phenyl, cyclo-hexyl, alkyl) instead of the pheniramine-like portion, were prepared and tested for their H-2 agonistic and H-1 antagonistic activity in the isolated guinea pig right atrium and ileum, respectively. In the diphenylpropylguanidine series an increase in H-2 agonistic potency resulted from mono- or difluorination at one or both phenyl rings in the meta and/or para position (pD2 less-than-or-equal-to 7.75 vs pD2 = 7.15 for the unsubstituted parent compound). Compounds chlorinated at both phenyl rings were considerably less potent. Highest combined H-2 agonistic/H-1 antagonistic potency was found in the 4-fluorophenyl series. The arpromidine analogue with cyclohexyl and methyl group instead of phenyl and pyridine ring proved to be 30 times more potent than histamine in the atrium. The H-1 antagonistic potency in cyclohexyl compounds was lower than in the diaryl series. Thus, aromatic rings appear not to be required for high H-2 agonistic potency but are useful for combined H-2 agonistic/H-1 antagonistic activity.

  DOI：

  10.1016/0223-5234(92)90145-q
• 作为产物：
  描述：

  3-羟基-2-甲基-3,3-二苯基-丙腈 在 甲酸 作用下， 反应 0.5h， 以90%的产率得到2-methyl-3,3-diphenylpropanenitrile
  参考文献：
  名称：

  Synthesis and histamine H2 agonistic activity of arpromidine analogues: replacement of the pheniramine-like moiety by non-heterocyclic groups

  摘要：

  Analogues of the potent histamine H-2 agonist arpromidine, characterized by non-heterocyclic groups (phenyl, cyclo-hexyl, alkyl) instead of the pheniramine-like portion, were prepared and tested for their H-2 agonistic and H-1 antagonistic activity in the isolated guinea pig right atrium and ileum, respectively. In the diphenylpropylguanidine series an increase in H-2 agonistic potency resulted from mono- or difluorination at one or both phenyl rings in the meta and/or para position (pD2 less-than-or-equal-to 7.75 vs pD2 = 7.15 for the unsubstituted parent compound). Compounds chlorinated at both phenyl rings were considerably less potent. Highest combined H-2 agonistic/H-1 antagonistic potency was found in the 4-fluorophenyl series. The arpromidine analogue with cyclohexyl and methyl group instead of phenyl and pyridine ring proved to be 30 times more potent than histamine in the atrium. The H-1 antagonistic potency in cyclohexyl compounds was lower than in the diaryl series. Thus, aromatic rings appear not to be required for high H-2 agonistic potency but are useful for combined H-2 agonistic/H-1 antagonistic activity.

  DOI：

  10.1016/0223-5234(92)90145-q

文献信息

• Metal‐Free Direct C−H Cyanation of Alkenes
  作者：Xi Wang、Armido Studer

  DOI：10.1002/anie.201807303

  日期：2018.9.3

  A metal‐free and direct alkene C−H cyanation is described. Directing groups are not required and the mechanism involves electrophilic activation of the alkene by a cyano iodine(III) species generated in situ from a [bis(trifluoroacetoxy)iodo]arene and trimethylsilyl cyanide as the cyanide source. This C−H functionalization can be conducted on gram scale, and for noncyclic 1,1‐ and 1,2‐disubstuted alkenes

  描述了无金属的直接烯烃CH氰化。不需要导向基团，并且该机理涉及通过由[双（三氟乙酰氧基）碘]芳烃和三甲基甲硅烷基氰化物作为氰化物源原位产生的氰基碘（III）物质对烯烃的亲电子活化。这种CH功能化可以以克为单位进行，对于非环状1,1,1，和1,2-二取代的烯烃，可以实现高立体选择性，因此使该方法具有很高的价值。
• METHODS FOR PHOTOSTABILIZING INGREDIENTS WITHIN COSMETICS, PERSONAL CARE AND HOUSEHOLD PRODUCTS AND COMPOSITIONS OBTAINED THEREFROM
  申请人：Chaudhuri Ratan K.

  公开号：US20080131381A1

  公开（公告）日：2008-06-05

  The present invention relates to methods and compositions for using photostabilizer compounds for stabilizing formulation ingredients, like flavors, fragrances, colors, antioxidants, polymers, within cosmetics, personal care and household products, against degradation from sun light, heat and air oxidation resulting in improvement in storage stability, viscosity, and maintenance of color of the formulated products.

  本发明涉及使用光稳定剂化合物的方法和组合物，用于稳定化妆品、个人护理和家庭产品中的配方成分，如香料、香料、颜色、抗氧化剂、聚合物，防止其在阳光、热和空气氧化下降解，从而改善储存稳定性、粘度和配方产品的色彩维护。
• [EN] LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT, AND LIQUID CRYSTAL DISPLAY<br/>[FR] COMPOSITION DE CRISTAUX LIQUIDES, ÉLÉMENT D'AFFICHAGE À CRISTAUX LIQUIDES ET ÉCRAN À CRISTAUX LIQUIDES<br/>[ZH] 液晶组合物、液晶显示元件、液晶显示器
  申请人：SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD

  公开号：WO2021253621A1

  公开（公告）日：2021-12-23

  本发明属于液晶材料技术领域，具体涉及一种负介电各向异性的液晶组合物及含有该液晶组合物的液晶显示元件或液晶显示器。本发明公开了一种负介电各向异性的液晶组合物，该液晶组合物包含式Ⅰ所示的液晶化合物以及一种或多种式Ⅱ所示的化合物。本发明的液晶组合物具有高的光学各向异性、高的清亮点和良好的热稳定性，包含本发明液晶组合物的液晶显示元件和液晶显示器具有较快的响应速度。
• Chodkiewicz et al., Bulletin de la Societe Chimique de France, 1958, p. 1586,1589
  作者：Chodkiewicz et al.

  DOI：——

  日期：——
• Melamed,U.; Feit,B.A., Journal of the Chemical Society. Perkin transactions I, 1978, p. 1232 - 1236
  作者：Melamed,U.、Feit,B.A.

  DOI：——

  日期：——