3,4-二氢-7-甲氧基-4-氧代-2H-1-苯并吡喃-3-乙酸 | 30779-83-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 3,4-二氢-7-甲氧基-4-氧代-2H-1-苯并吡喃-3-乙酸
• 英文名称: 3,4-dihydro-7-methoxy-4-oxo-2H-1-benzopyran-3-acetic acid
• 英文别名: anhydrobrazilic acid；Dihydroanhydrobrazilsaeure；(7-methoxy-4-oxo-chroman-3-yl)-acetic acid；2-(7-Methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetic acid
• CAS: 30779-83-0
• 化学式: C₁₂H₁₂O₅
• 分子量: 236.224
• InChiKey: SKFHLQLKVSJZGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,4-二氢-7-甲氧基-4-氧代-2H-1-苯并吡喃-3-乙酸 在 magnesium methanolate 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 21.0h， 生成 4-(3,4-dihydro-cis-4-hydroxy-7-methoxy-2H-1-benzopyran-3-yl)-1,3-benzenediol
  参考文献：
  名称：

  Ozaki, Yutaka; Mochida, Keiko; Kim, Sang-Won, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 5, p. 1790 - 1795

  摘要：

  DOI：
• 作为产物：
  描述：

  4H-1-苯并吡唑-4-酮 生成 3,4-二氢-7-甲氧基-4-氧代-2H-1-苯并吡喃-3-乙酸
  参考文献：
  名称：

  Ozaki, Yutaka; Mochida, Keiko; Kim, Sang-Won, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 5, p. 1790 - 1795

  摘要：

  DOI：

文献信息

• Synthesis and pharmacological evaluation of 4,4a-dihydro-5H-[1]benzopyrano[4,3-c]pyridazin-3(2H)-ones bioisosters of antihypertensive and antithrombotic benzo[h]cinnolinones
  作者：G Cignarella、D Barlocco、MM Curzu、GA Pinna、P Cazzulani、M Cassin、B Lumachi

  DOI：10.1016/0223-5234(90)90194-8

  日期：1990.11

  A series of 4,4a-dihydro-5H-[1]benzopyrano[4,3-c]pyridazin-3-(2H)-ones (2a-h), have been prepared and evaluated for their pharmacological profile as antihypertensive and antithrombotic agents. Compounds 2 were ineffective in lowering the blood pressure of spontaneously hypertensive rats (SHR), only 2c (R1 = NHCOCH3) showing a short lasting action (< 2 h). Compounds 2c and 2b (R1 = NH2) were found to be very active as antithrombotic agents in mice, being more potent than acetylsalicylic acid (ASA) taken as reference drug. Moreover, many derivatives of this class protected rats from formation of ASA or phenylbutazone (PBZ) induced ulcers, the most active being 2f (R2 = OCH3) (ED50 = 12.2 mg/kg and 25.4 mg/kg po in ASA and PBZ models, respectively).
• CIGNARELLA, G.;BARLOCCO, D.;CURZU, M. M.;PINNA, G. A.;CAZZULANI, P.;CASSI+, EUR. J. MED. CHEM., 25,(1990) N, C. 749-756
  作者：CIGNARELLA, G.、BARLOCCO, D.、CURZU, M. M.、PINNA, G. A.、CAZZULANI, P.、CASSI+

  DOI：——

  日期：——
• OZAKI YUTAKA; MOCHIDA KEIKO; KIM SANG-WON, CHEM. AND PHARM. BULL., 35,(1987) N 5, 1790-1795
  作者：OZAKI YUTAKA、 MOCHIDA KEIKO、 KIM SANG-WON

  DOI：——

  日期：——
• Ozaki, Yutaka; Mochida, Keiko; Kim, Sang-Won, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 5, p. 1790 - 1795
  作者：Ozaki, Yutaka、Mochida, Keiko、Kim, Sang-Won

  DOI：——

  日期：——