2-(4-isopropylphenyl)-2-(phenylamino)acetonitrile | 950756-70-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(4-isopropylphenyl)-2-(phenylamino)acetonitrile
• 英文别名: 2-(N-anilino)-2-(4-isopropylphenyl)acetonitrile；anilino-(4-isopropyl-phenyl)-acetonitrile；Anilino-(4-isopropyl-phenyl)-acetonitril；2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
• CAS: 950756-70-4
• 化学式: C₁₇H₁₈N₂
• 分子量: 250.343
• InChiKey: BAYPYLSEYBTISK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-isopropylphenyl)-2-(phenylamino)acetonitrile 在 硫酸 作用下， 生成 anilino-(4-isopropyl-phenyl)-acetic acid amide
  参考文献：
  名称：

  v. Miller; Ploechl; Gerngross, Chemische Berichte, 1898, vol. 31, p. 2702,2703

  摘要：

  DOI：
• 作为产物：
  描述：

  氢氰酸 、 N-(4-isopropylbenzylidene)aniline 在 乙醚 作用下， 生成 2-(4-isopropylphenyl)-2-(phenylamino)acetonitrile
  参考文献：
  名称：

  v. Miller; Ploechl; Gerngross, Chemische Berichte, 1898, vol. 31, p. 2702,2703

  摘要：

  DOI：

文献信息

• Lithium Tetrafluoroborate–Catalyzed Solventless Synthesis of α-Aminonitriles
  作者：Uday V. Desai、Satish D. Mitragotri、Takaram S. Thopate、Dattaprasad M. Pore、Prakash P. Wadgaonkar

  DOI：10.1007/s00706-007-0675-5

  日期：2007.8

  Lithium tetrafluoroborate-catalyzed one-pot, highly efficient, and solvent-free protocol has been developed for the synthesis of alpha-aminonitriles from aldehydes/ketones, amines, and trimethylsilyl cyanide.
• Ferric Perchlorate–Catalyzed One‐Pot Synthesis of α‐Aminonitriles using Trimethylsilylcyanide
  作者：Hossien A. Oskooie、Majid M. Heravi、Akbar Sadnia、Fatemeh Jannati、Farahnaz K. Behbahani

  DOI：10.1080/00397910701462732

  日期：2007.8
• One-pot synthesis of α-aminonitriles using a highly efficient and recyclable silica-based scandium (III) interphase catalyst
  作者：Babak Karimi、Ali Asghar Safari

  DOI：10.1016/j.jorganchem.2008.06.035

  日期：2008.9

  Both aryl and alkyl imines, which formed in situ from aldehydes and amines undergo smooth nucleophilic addition with trimethylsilyl cyanide in the presence of a catalytic amount of a silica-based scandium (III) interphase catalyst under mild reaction condition to furnish the corresponding alpha-aminonitriles in good to excellent yields. The catalyst shows high thermal stability (up to 300 degrees C) and it could also be recovered and reused for at least 6 reaction cycles without considerable lose of its reactivity. (C) 2008 Elsevier B. V. All rights reserved.
• H2SO4/Silicagel: Highly Efficient Catalyst for the Synthesis of α-Aminonitriles Using Trimethysilyl Cyanide
  作者：Hossien A. Oskooie、Majid M. Heravi、Akbar Sadnia、Fatemeh Jannati、Farahnaz K. Behbahani

  DOI：10.1007/s00706-007-0740-0

  日期：2008.1

  The multicomponent Strecker reaction using trimethylsilyl cyanide was performed at room temperature and alpha-aminonitriles were prepared in excellent yields in the presence of a catalytic amount of H2SO4 adsorbed on silica gel.
• Knoevenagel, Chemische Berichte, 1904, vol. 37, p. 4085
  作者：Knoevenagel

  DOI：——

  日期：——