1-(5',5',6'-trimethyl-2'-oxobicyclo[2.2.1]hept-3'-yl)-1-phenylmethylamine | 484049-68-5

• 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: 1-(5',5',6'-trimethyl-2'-oxobicyclo[2.2.1]hept-3'-yl)-1-phenylmethylamine
• 英文别名: 5,5,6-Trimethyl-3-[phenyl(phenylamino)methyl]bicyclo[2.2.1]heptan-2-one；3-[anilino(phenyl)methyl]-5,5,6-trimethylbicyclo[2.2.1]heptan-2-one
• CAS: 484049-68-5
• 化学式: C₂₃H₂₇NO
• mdl: MFCD03067041
• 分子量: 333.473
• InChiKey: AFKLAVFLSMAXRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-methyl-3-tert-pentylperoxy-1-butyne 、 1-(5',5',6'-trimethyl-2'-oxobicyclo[2.2.1]hept-3'-yl)-1-phenylmethylamine 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 1.5h， 以87%的产率得到3-[anilino(phenyl)methyl]-5,5,6-trimethyl-2-[3-methyl-3-(2-methylbutan-2-ylperoxy)but-1-ynyl]bicyclo[2.2.1]heptan-2-ol
  参考文献：
  名称：

  摘要：

  A series of peroxy-containing tertiary alcohols were prepared by the reactions of lithium peroxy acetylenides with gamma-amino ketones. The reactions of the intermediate lithium peroxy alcoholates with alkyl iodides in the presence of hexamethylphosphoramide yielded the corresponding peroxy ethers. The thermal stability of the compounds synthesized was evaluated by thermal analysis.

  DOI：

  10.1023/a:1025648821889
• 作为产物：
  描述：

  5,5,6-三甲基双环[2.2.1]庚烷-2-酮 、 N-苄叉苯胺 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 0.08h， 以90%的产率得到1-(5',5',6'-trimethyl-2'-oxobicyclo[2.2.1]hept-3'-yl)-1-phenylmethylamine
  参考文献：
  名称：

  摘要：

  A series of peroxy-containing tertiary alcohols were prepared by the reactions of lithium peroxy acetylenides with gamma-amino ketones. The reactions of the intermediate lithium peroxy alcoholates with alkyl iodides in the presence of hexamethylphosphoramide yielded the corresponding peroxy ethers. The thermal stability of the compounds synthesized was evaluated by thermal analysis.

  DOI：

  10.1023/a:1025648821889

文献信息

• ——
  作者：E. A. Dikusar、N. G. Kozlov、L. A. Popova、K. L. Moiseichuk、A. P. Yuvchenko

  DOI：10.1023/a:1025648821889

  日期：——

  A series of peroxy-containing tertiary alcohols were prepared by the reactions of lithium peroxy acetylenides with gamma-amino ketones. The reactions of the intermediate lithium peroxy alcoholates with alkyl iodides in the presence of hexamethylphosphoramide yielded the corresponding peroxy ethers. The thermal stability of the compounds synthesized was evaluated by thermal analysis.