2'-bromo-2-acetyloxy-5-methylacetophenone | 155938-65-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2'-bromo-2-acetyloxy-5-methylacetophenone
• 英文别名: 2-acetoxy-5-methylphenacyl bromide；1-(2-acetoxy-5-methyl-phenyl)-2-bromo-ethanone；1-(2-Acetoxy-5-methyl-phenyl)-2-brom-aethanon
• CAS: 155938-65-1
• 化学式: C₁₁H₁₁BrO₃
• 分子量: 271.111
• InChiKey: RTUSALRPOFVSMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2'-bromo-2-acetyloxy-5-methylacetophenone 在 吡啶 、 氢溴酸 、 sodium carbonate 作用下， 以 甲苯 为溶剂， 反应 8.0h， 生成 [3-(6-Methyl-4-oxo-4H-chromen-2-yl)-phenyl]-acetic acid
  参考文献：
  名称：

  Orjales, A.; Berisa, A.; Alonso-Cires, L., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1994, vol. 33, # 1, p. 27 - 31

  摘要：

  DOI：

文献信息

• Pendse; Limaye, Rasayanam, 1955, vol. 2, p. 74,78
  作者：Pendse、Limaye

  DOI：——

  日期：——
• Synthesis, antimicrobial, and alkylating properties of 3-phosphonic derivatives of chromone
  作者：Elzbieta Budzisz、Ewa Nawrot、Magdalena Malecka

  DOI：10.1002/1521-4184(200112)334:12<381::aid-ardp381>3.0.co;2-0

  日期：2001.12

  Dimethyl 2,6-dimethyl-4-oxo-4H-chromen-3-yl-phosphonate (1a) and dimethyl 6-methyl-2-phenyl-4-oxo-4H-chromen-3-yl-phosphonate (1b) were synthesized and reacted with primary aliphatic amines to yield title compounds 4-6. Their antibacterial properties against Gram-positive and Gram-negative bacteria strains were tested by the MIC method. Four of seventeen tested compounds (1d, 3, 4a, and 4b) exhibit detectable activity against S. aureus. Some representative examples of newly synthesized compounds were tested for their alkylating properties in vitro in the Preussmann test. Compounds 1a, 1c, 1d, 3, 5d, and 6a possess highly alkylating activity toward standard derivative 4-(4'-nitrobenzyl)pyridine (NBP).
• Limaye et al., Rasayanam, 1956, vol. 2, p. 97,103
  作者：Limaye et al.

  DOI：——

  日期：——