1-(2-Hydroxy-2-trifluoromethyl-3,3,3-trifluoropropyl)-3,3-dimethyl-3,4-dihydroisoquinoline | 129788-82-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢异喹啉
• 英文名称: 1-(2-Hydroxy-2-trifluoromethyl-3,3,3-trifluoropropyl)-3,3-dimethyl-3,4-dihydroisoquinoline
• 英文别名: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
• CAS: 129788-82-5
• 化学式: C₁₅H₁₅F₆NO
• 分子量: 339.281
• InChiKey: GBNWQDZRAIFXFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-(2-Hydroxy-2-trifluoromethyl-3,3,3-trifluoropropyl)-3,3-dimethyl-3,4-dihydroisoquinoline 在 溶剂黄146 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 12.0h， 以81%的产率得到3,3-Dimethyl-3,4-dihydroisoquinolyl-1-carbaldehyde S-cis-oxime
  参考文献：
  名称：

  Synthesis of the S-cis-oxime of 3,3-dimethyl-3,4-dihydroisoquinolyl-1-carbaldehyde

  摘要：

  The reaction of 1-(2-hydroxy-2-trifluoromethyl-3,3,3-trifluoropropyl)-3,3-dimethyl-3,4-dihydroisoquinoline with a nitrosylating mixture gave only the S-cis-oxime of 3,3-dimethyl-3,4-dihydroisoquinolyl-1-carbaldehyde.

  DOI：

  10.1007/bf00958269
• 作为产物：
  描述：

  1,3,3-三甲基-3,4-二氢异喹啉 、 六氟丙酮 生成 1-(2-Hydroxy-2-trifluoromethyl-3,3,3-trifluoropropyl)-3,3-dimethyl-3,4-dihydroisoquinoline
  参考文献：
  名称：

  Reactions of 1,1-dicyano-2-bis-(trifluoromethyl)-ethylens with enamines

  摘要：

  DOI：

  10.1016/s0022-1139(00)83784-7

文献信息

• Reactions of polyfluorocarbonyl compounds with 1,3,3-trimethyl-3,4-dihydroisoquinoline and its derivatives
  作者：V. D. Sviridov、N. D. Chkanikov、M. V. Galakhov、Yu. V. Shklyaev、V. S. Shklyaev、B. B. Aleksandrov、M. S. Gavrilov

  DOI：10.1007/bf00962396

  日期：1990.6

  1,3,3-Trimethyl-3,4-dihydroisoquinolines, which exist in the imine form, undergo C-hydroxyalkylation upon reaction with hexafluoroacetone and esters of trifluoropyruvic acid at the C1-CH3 group at 20-degrees-C. The products with the ketoesters are converted upon heating to gamma-lactams. Derivatives of 1,3,3-trimethyl-3,4-dihydroisoquinoline substituted at C1-CH3 group and existing in the enamine form, react with esters of trifluoropyruvic acid at 20-degrees-C to give exclusively gamma-lactams and do not give reaction products with hexafluoroacetone.
• SVIRIDOV, V. D.;CHKANIKOV, N. D.;GALAXOV, M. V.;SHKLYAEV, YU. V.;SHKLYAEV+, IZV. AN CCCP. CEP. XIM.,(1990) N, S. 1405-1410
  作者：SVIRIDOV, V. D.、CHKANIKOV, N. D.、GALAXOV, M. V.、SHKLYAEV, YU. V.、SHKLYAEV+

  DOI：——

  日期：——
• ALEKSANDROV, B. B.;GAVRILOV, M. S.;SVIRIDOV, V. D.;CHKANIKOV, N. D.;SHKLY+, IZV. AN CCCP. CEP. XIM.,(1990) N, S. 2136-2137
  作者：ALEKSANDROV, B. B.、GAVRILOV, M. S.、SVIRIDOV, V. D.、CHKANIKOV, N. D.、SHKLY+

  DOI：——

  日期：——
• Synthesis of the S-cis-oxime of 3,3-dimethyl-3,4-dihydroisoquinolyl-1-carbaldehyde
  作者：B. B. Aleksandrov、M. S. Gavrilov、V. D. Sviridov、N. D. Chkanikov、V. S. Shklyaev、Yu. V. Shklyaev

  DOI：10.1007/bf00958269

  日期：1990.9

  The reaction of 1-(2-hydroxy-2-trifluoromethyl-3,3,3-trifluoropropyl)-3,3-dimethyl-3,4-dihydroisoquinoline with a nitrosylating mixture gave only the S-cis-oxime of 3,3-dimethyl-3,4-dihydroisoquinolyl-1-carbaldehyde.
• Reactions of 1,1-dicyano-2-bis-(trifluoromethyl)-ethylens with enamines
  作者：V.Yu. Tyutin、N.D. Chkanikov、A.F. Kolomietz、A.V. Fokin

  DOI：10.1016/s0022-1139(00)83784-7

  日期：1991.9