1,5-二乙酰基-2,4-二羟基-3-甲基苯 | 22304-66-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,5-二乙酰基-2,4-二羟基-3-甲基苯
• 英文名称: 1,5-diacetyl-2,4-dihydroxy-3-methylbenzene
• 英文别名: 1,5-diacetyl-2,5-dihydroxy-3-methylbenzene；4.6-Diacetyl-2-methyl-resorcin；1-(5-acetyl-2,4-dihydroxy-3-methylphenyl)ethanone
• CAS: 22304-66-1
• 化学式: C₁₁H₁₂O₄
• mdl: MFCD00100637
• 分子量: 208.214
• InChiKey: VTXPYYTZBSOMMH-UHFFFAOYSA-N

物化性质

• 熔点：
  139–142°C

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,5-二乙酰基-2,4-二羟基-3-甲基苯 在 palladium on activated charcoal 氢氧化钾 、 氢气 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 生成 1-[2,4-Dihydroxy-3-methyl-5-(3-p-tolyl-propionyl)-phenyl]-3-p-tolyl-propan-1-one
  参考文献：
  名称：

  Ahluwalia, V. K.; Kaila, Neelu; Bala, Shashi, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 663 - 664

  摘要：

  DOI：
• 作为产物：
  描述：

  2-methyl-1,3-phenylene diacetate 在 三氯化铝 作用下， 以 硝基苯 为溶剂， 反应 3.0h， 以63%的产率得到1,5-二乙酰基-2,4-二羟基-3-甲基苯
  参考文献：
  名称：

  Benzo[1,2-c:5,4-c']dipyrazoles: non-xanthine adenosine antagonists

  摘要：

  3,5-Dimethylbenzo[1,2-c:5,4-c']dipyrazoles, optionally substituted in the 1-, 7-, and 8-positions, were synthesized from resorcinols. These compounds display affinity for adenosine A1 (rat brain) and A2 (human platelet) receptors. In addition, these compounds reverse contractions of guinea pig tracheal cylindrical segments induced by potassium chloride, histamine, acetylcholine, and 5-hydroxytryptamine, as well as reverse bronchospasm induced by aerosolized histamine in the conscious guinea pig.

  DOI：

  10.1021/jm00118a032

文献信息

• PEET, NORTON P.;DICKERSON, GEORGE A.;ABDALLAH, ABDULMINIUM H.;DALY, JOHN +, J. MED. CHEM., 31,(1988) N 10, C. 2034-2039
  作者：PEET, NORTON P.、DICKERSON, GEORGE A.、ABDALLAH, ABDULMINIUM H.、DALY, JOHN +

  DOI：——

  日期：——
• Benzo[1,2-c:5,4-c']dipyrazoles: non-xanthine adenosine antagonists
  作者：Norton P. Peet、George A. Dickerson、Abdulminium H. Abdallah、John W. Daly、Dieter Ukena

  DOI：10.1021/jm00118a032

  日期：1988.10

  3,5-Dimethylbenzo[1,2-c:5,4-c']dipyrazoles, optionally substituted in the 1-, 7-, and 8-positions, were synthesized from resorcinols. These compounds display affinity for adenosine A1 (rat brain) and A2 (human platelet) receptors. In addition, these compounds reverse contractions of guinea pig tracheal cylindrical segments induced by potassium chloride, histamine, acetylcholine, and 5-hydroxytryptamine, as well as reverse bronchospasm induced by aerosolized histamine in the conscious guinea pig.
• Ahluwalia, V. K.; Kaila, Neelu; Bala, Shashi, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 663 - 664
  作者：Ahluwalia, V. K.、Kaila, Neelu、Bala, Shashi

  DOI：——

  日期：——