[2-(2-Dimethoxyphosphorylacetyl)-4-methylphenyl] benzoate | 412013-85-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: [2-(2-Dimethoxyphosphorylacetyl)-4-methylphenyl] benzoate
• CAS: 412013-85-5
• 化学式: C₁₈H₁₉O₆P
• 分子量: 362.319
• InChiKey: UPXVUCFYJQSSAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [2-(2-Dimethoxyphosphorylacetyl)-4-methylphenyl] benzoate 反应 5.0h， 以47.4%的产率得到dimethyl 6-methyl-2-phenyl-4-oxo-4H-chromen-3-yl-phosphonate
  参考文献：
  名称：

  Synthesis, antimicrobial, and alkylating properties of 3-phosphonic derivatives of chromone

  摘要：

  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).

  DOI：

  10.1002/1521-4184(200112)334:12<381::aid-ardp381>3.0.co;2-0
• 作为产物：
  描述：

  1-(2-苯甲酰氧基-5-甲基苯基)-2-溴乙酮 、 三甲氧基磷 反应 0.5h， 以55%的产率得到[2-(2-Dimethoxyphosphorylacetyl)-4-methylphenyl] benzoate
  参考文献：
  名称：

  Synthesis, antimicrobial, and alkylating properties of 3-phosphonic derivatives of chromone

  摘要：

  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).

  DOI：

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

文献信息

• 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).