1-异丙基-1,2,3,4-四氢-异喹啉 | 36748-60-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 中文名称: 1-异丙基-1,2,3,4-四氢-异喹啉
• 英文名称: 1-isopropyl-1,2,3,4-tetrahydronaphthalene
• 英文别名: 1-isopropyl-1,2,3,4-tetrahydro-naphthalene；1-Isopropyl-1,2,3,4-tetrahydro-naphthalin；1-Isopropyltetralin；Isopropyl-tetralin；1-(1-Methylethyl)-1,2,3,4-tetrahydro-naphthalene；1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
• CAS: 36748-60-4
• 化学式: C₁₃H₁₈
• 分子量: 174.286
• InChiKey: LRCMZPVVFRECQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  2-methyl-6-phenyl-hexan-2-ol 在 硫酸 作用下， 生成 1-异丙基-1,2,3,4-四氢-异喹啉
  参考文献：
  名称：

  The Synthesis of Condensed Polynuclear Hydrocarbons by the Cyclodehydration of Aromatic Alcohols. III. The Cyclization of Some Phenylated Alcohols and Related Olefins¹

  摘要：

  DOI：

  10.1021/ja01304a041

文献信息

• Friedel-Crafts cyclialkylations of certain mono- and diphenyl-substituted alcohols and alkyl chlorides
  作者：Ali Ali. Khalaf、Royston M. Roberts

  DOI：10.1021/jo00799a001

  日期：1972.7.29
• Anisochrony of isopropyl methyl groups in 1-isopropyl-substituted tetralins and indans
  作者：N. Pourahmady、V. A. Palaniswamy、E. J. Eisenbraun

  DOI：10.1002/omr.1270211106

  日期：1983.11

  Abstract1‐Isopropyl‐5‐methylindan, 1‐isopropyl‐7‐methylindan and 1‐isopropyl‐1,2,3,4‐tetrahydronaphthalene show a large anisochrony (magnctic non‐equivalence) of the isopropyl methyl signals at room temperature in their1H NMR spectra. A decrease in magnitude of this anisochrony is observed, in each case, in the temperature range 30‐150 °C. However, for 1‐isopropyl‐8‐methyltetralin, the magnitude of the non‐equivalence of the isopropyl methyl signals is unexpectedly small. These latter signals converge at 85 °C and then diverge in the opposite direction over the range 85‐150 °C. This alteration in anisochrony with temperature change for all cases is observed as a continuous downfield migration of one signal which, in turn, results from variations in conformation populations.
• The Synthesis of Condensed Polynuclear Hydrocarbons by the Cyclodehydration of Aromatic Alcohols. III. The Cyclization of Some Phenylated Alcohols and Related Olefins¹
  作者：Richard O. Roblin、David Davidson、Marston Taylor Bogert

  DOI：10.1021/ja01304a041

  日期：1935.1