3,3-Bis(3-methylbut-2-en-1-yl)chromane-2,4-dione | 31581-56-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3,3-Bis(3-methylbut-2-en-1-yl)chromane-2,4-dione
• 英文别名: 3,3-Bis(3-methylbut-2-en-1-yl)-2H-1-benzopyran-2,4(3H)-dione；3,3-bis(3-methylbut-2-enyl)chromene-2,4-dione
• CAS: 31581-56-3
• 化学式: C₁₉H₂₂O₃
• 分子量: 298.382
• InChiKey: NKZIZALQNYPKQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,3-Bis(3-methylbut-2-en-1-yl)chromane-2,4-dione 、 sodium hydroxide 生成 α,α,-bis(dimethylallyl)-o-hydroxyacetophenone
  参考文献：
  名称：

  GONZALEZ, GONZALEZ, A.;DIAZ, CHICO, E.;JORGE, Z. D.;LOPEZ, DORTA, H.;RODR+, AN. QUIM. PUBL. REAL. SOC. ESP. FIS. Y QUIM., 1981, 77, N 1, 63-66

  摘要：

  DOI：
• 作为产物：
  描述：

  4-羟基香豆素 、 1-溴-3-甲基-2-丁烯 以35%的产率得到
  参考文献：
  名称：

  MAJUMDAR, K. C.;KHAN, A. T.;CHATTOPADHYAY, S. K., INDIAN J. CHEM. B, 29,(1990) N, C. 483-485

  摘要：

  DOI：

文献信息

• Inhibition of reverse transcriptase and Taq DNA polymerase by compounds possessing the coumarin framework
  作者：A. Garro Hugo、M. Manzur Jimena、M. Ciuffo Gladys、E. Tonn Carlos、R. Pungitore Carlos

  DOI：10.1016/j.bmcl.2013.12.104

  日期：2014.2

  Coumarin derivatives were prepared using natural products isolated from plants belonging in the Pterocaulon genus (Asteraceae) and commercial drugs. Some molecules have displayed interesting activity against myeloid murine leukemia virus-reverse transcriptase (MMLV-RT) (compounds 20 and 28 produced inhibition with IC50 values of 38.62 and 50.98 mu M, respectively) and Taq DNA polymerase (analogues 13 and 14 produced inhibition with IC50 values of 48.08 and 57.88 mu M, respectively). Such inhibitors may have importance as antiretroviral chemotherapeutic agents and also in the development of anticancer drugs. (C) 2013 Elsevier Ltd. All rights reserved.
• Majumdar; Khan; Chattopadhyay, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 5, p. 483 - 485
  作者：Majumdar、Khan、Chattopadhyay

  DOI：——

  日期：——
• 4-Hydroxycoumarin and Related Systems: Sitoselectivity of the Mitsunobu Reaction with Prenyl Alcohols
  作者：Giancarlo Cravotto、Gian Mario Nano、Giovanni Palmisano、Silvia Tagliapietra

  DOI：10.3987/com-03-9737

  日期：——

  The Mitsunobu reaction leads to the formation of new C-C bonds between prenyl alcohols and 1,3-dicarbonyl compounds like 4-hydroxycoumarin or its nitrogen isoster. Buchapine was obtained through a one-pot procedure from 4-hydroxy-2-quinolone and dimethylallyl alcohol.
• MAJUMDAR, K. C.;KHAN, A. T.;CHATTOPADHYAY, S. K., INDIAN J. CHEM. B, 29,(1990) N, C. 483-485
  作者：MAJUMDAR, K. C.、KHAN, A. T.、CHATTOPADHYAY, S. K.

  DOI：——

  日期：——
• GONZALEZ, GONZALEZ, A.;DIAZ, CHICO, E.;JORGE, Z. D.;LOPEZ, DORTA, H.;RODR+, AN. QUIM. PUBL. REAL. SOC. ESP. FIS. Y QUIM., 1981, 77, N 1, 63-66
  作者：GONZALEZ, GONZALEZ, A.、DIAZ, CHICO, E.、JORGE, Z. D.、LOPEZ, DORTA, H.、RODR+

  DOI：——

  日期：——