ethyl 3-bromo-4-(4-methoxyphenyl)-4-oxobutanoate | 54029-01-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 3-bromo-4-(4-methoxyphenyl)-4-oxobutanoate
• CAS: 54029-01-5
• 化学式: C₁₃H₁₅BrO₄
• 分子量: 315.164
• InChiKey: ASQFONGFHIRBJZ-UHFFFAOYSA-N

物化性质

• 沸点：
  403.7±35.0 °C(predicted)
• 密度：
  1.382±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.59
• 重原子数：
  18.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ethyl 3-bromo-4-(4-methoxyphenyl)-4-oxobutanoate 在 sodium hydroxide 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 24.0h， 生成 [6-(4-Methoxy-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-acetic acid
  参考文献：
  名称：

  Dhindsa, G. S.; Vaid, R. K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 283 - 287

  摘要：

  DOI：
• 作为产物：
  描述：

  3-(4-甲氧基苯甲酰)丙酸乙酯 在 三氯化铝 、 溴 作用下， 以 氯仿 为溶剂， 以72%的产率得到ethyl 3-bromo-4-(4-methoxyphenyl)-4-oxobutanoate
  参考文献：
  名称：

  Dhindsa, G. S.; Vaid, R. K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 283 - 287

  摘要：

  DOI：

文献信息

• Synthesis and Antiinflammatory Activity of Some 1,4-Dihydro-3-methyl-1-(2-thiazolyl)pyrazolo[4,3-<i>c</i>][1,2]benzothiazine 5,5-Dioxides
  作者：Pawan K. Sharma、Shanti N. Sawhney

  DOI：10.1246/bcsj.66.3843

  日期：1993.12

  Condensation of 1,4-dihydro-3-methyl-1-thiocarbamoylpyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide with various phenacyl bromides, ethyl 3-aroyl-3-bromopropionates, and ethyl bromopyruvate afforded 1,4-dihydro-3-methyl-1-(2-thiazolyl)pyrazolo[4,3-c][1,2]benzothiazine-5,5 dioxides, which were also prepared by an alternate route in order to confirm their structure, were tested for antiinflammatory activity

  1,4-二氢-3-甲基-1-硫代氨基甲酰基吡唑并[4,3-c][1,2]苯并噻嗪5,5-二氧化物与各种苯甲酰溴、3-芳酰基-3-溴丙酸乙酯和溴丙酮酸乙酯的缩合得到 1,4-dihydro-3-methyl-1-(2-thiazolyl)pyrazolo[4,3-c][1,2]benzothiazine-5,5 二氧化物，其也通过替代路线制备以确认通过角叉菜胶诱导的大鼠爪水肿试验测试它们的结构的抗炎活性。这些化合物显示出中等至良好的活性。
• A series of thiazole derivatives bearing thiazolidin-4-one as non-competitive ADAMTS-5 (aggrecanase-2) inhibitors
  作者：Masakazu Atobe、Naomi Maekawara、Noriko Ishiguro、Shinya Sogame、Yoshihito Suenaga、Masashi Kawanishi、Hiroko Suzuki、Norimasa Jinno、Eiichi Tanaka、Shiro Miyoshi

  DOI：10.1016/j.bmcl.2013.01.121

  日期：2013.4

  A series of thiazole bearing thiazolidin-4-one was discovered via high-throughput screening as non-competitive inhibitors of ADAMTS-5. Compound 31 appeared to give the best ADAMTS-5 inhibition and good selectivity over other metalloproteases. (C) 2013 Elsevier Ltd. All rights reserved.
• Sharma, Pawan K.; Sawhney; Gupta, Asha, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1998, vol. 37, # 4, p. 376 - 381
  作者：Sharma, Pawan K.、Sawhney、Gupta, Asha、Singh、Bani, Sarang

  DOI：——

  日期：——
• Potent antiinflammatory 3-thiazole-4(5)-acetic acids of 1,2-benzisothiazole
  作者：Pawan K. Sharma、S.N. Sawhney

  DOI：10.1016/s0960-894x(97)00449-6

  日期：1997.9

  A number of 1,2-benzisothiazole derivatives, having 2-thiazolyl-4(5)-acetic acid moiety attached to position-3 of 1,2-benzisothiazole nucleus, were prepared and evaluated as antiinflammatory agents. Some of these were found to possess excellent level of antiinflammatory activity in carrageenin-induced rat paw edema assay. (C) 1997 Elsevier Science Ltd.
• Sawhney, S. N.; Dhindsa, G. S.; Singh, S. P., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1983, vol. 22, # 10, p. 1044 - 1049
  作者：Sawhney, S. N.、Dhindsa, G. S.、Singh, S. P.

  DOI：——

  日期：——