1-hydroxy-8-isopropyl-5-methylnaphthalene-2-carbaldehyde | 118304-45-3

• 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-hydroxy-8-isopropyl-5-methylnaphthalene-2-carbaldehyde
• 英文别名: 5-Hydroxycadalenal；1-Hydroxy-5-methyl-8-propan-2-ylnaphthalene-2-carbaldehyde
• CAS: 118304-45-3
• 化学式: C₁₅H₁₆O₂
• 分子量: 228.291
• InChiKey: DRRXICVICVELEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-hydroxy-8-isopropyl-5-methylnaphthalene-2-carbaldehyde 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 以72%的产率得到5-hydroxycalamenene
  参考文献：
  名称：

  Total Synthesis of (±)- Cis -5-Hydroxycalamenene

  摘要：

  A total synthesis of (+/-)-cis-5-hydroxycalamenene 1 has been achieved from tetralone 5, which in turn was prepared from 5-methoxy-alpha-tetralone 3. Grignard reaction of compound 5 with isopropylmagnesium chloride, followed by dehydration and aromatization, provided the substituted naphthalene 7 whose conversion to (+/-)-cis-5-hydroxycalamenene 1 was accomplished by demethylation, formylation, and hydrogenation.

  DOI：

  10.1080/00397910802026204
• 作为产物：
  描述：

  (2E)-2-(hydroxymethylidene)-5-methyl-8-propan-2-yl-3,4-dihydronaphthalen-1-one 生成 1-hydroxy-8-isopropyl-5-methylnaphthalene-2-carbaldehyde
  参考文献：
  名称：

  REDDY, N. KESAVULU;RAO, G. S. KRISHNA, INDIAN J. CHEM., 26,(1987) N 10, 920-922

  摘要：

  DOI：

文献信息

• Reddy, N. Kesavulu; Rao, G. S. Krishna, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, p. 920 - 922
  作者：Reddy, N. Kesavulu、Rao, G. S. Krishna

  DOI：——

  日期：——