2,2,3-trimethyl-2,3-dihydro-4H-furo[2,3-b][1]benzopyran-4-one | 116864-08-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 2,2,3-trimethyl-2,3-dihydro-4H-furo[2,3-b][1]benzopyran-4-one
• 英文别名: 2,2,3-trimethyl-3H-furo[2,3-b]chromen-4-one
• CAS: 116864-08-5
• 化学式: C₁₄H₁₄O₃
• 分子量: 230.263
• InChiKey: YXJZCDKVDGIZKP-UHFFFAOYSA-N

物化性质

• 熔点：
  121.5-122.5 °C(Solvent: Hexane)
• 沸点：
  317.6±42.0 °C(predicted)
• 密度：
  1.23±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  8b-hydroxy-1,1,2-trimethyl-2,2a-dihydrocyclobuta[c]chromen-3-one 、 8b-hydroxy-1,1,2-trimethyl-2,2a-dihydrocyclobuta[c]chromen-3-one 以19%的产率得到
  参考文献：
  名称：

  SUGINOME, HIROSHI;LIU, CHI FU;SEKO, SHINZO;KOBAYASHI, KAZUHIRO;FURUSAKI, +, J. ORG. CHEM., 53,(1988) N5, C. 5952-5959

  摘要：

  DOI：

文献信息

• CAN-mediated Formation of Furopyranones and Furoquinolinones
  作者：Kazuhiro Kobayashi、Kouji Sakashita、Hideki Akamatsu、Koujirou Tanaka、Masaharu Uchida、Tomokazu Uneda、Taichi Kitamura、Osamu Morikawa、Hisatoshi Konishi

  DOI：10.3987/com-99-8688

  日期：——

  The reaction of 4-hydroxy-2H-pyran-2-one derivatives (1), (11), and (17) with a range of alkenes or phenylacetylene in acetonitrile containing cerium(IV) ammonium nitrate (CAN) afforded the corresponding furo[3,2-c]pyranone (4, 8, 13, 15, and 18) and/or furo[2,3-b]pyranone derivatives (6, 10, 14, 16, and 19). Similar treatment of 4-hydroxy-1-methylquinolin-2(1H)-one (2) with alkenes or phenylacetylene in the presence of CAN gave furo[3,2-c]quinolin-4(5H)-one derivatives (5) and (9).
• Photoinduced molecular transformations. 100. Formation of furocoumarins and furochromones via a .beta.-scission of cyclobutanoxyl radicals generated from [2 + 2] photoadducts from 4-hydroxycoumarin and acyclic and cyclic alkenes. X-ray crystal structures of benzocyclopentacyclobutapyranone, cyclopentafurobenzopyranone, and benzocyclobutapyranone derivatives
  作者：Hiroshi Suginome、Chi Fu Liu、Shinzo Seko、Kazuhiro Kobayashi、Akio Furusaki

  DOI：10.1021/jo00260a027

  日期：1988.12
• SUGINOME, HIROSHI;LIU, CHI FU;SEKO, SHINZO;KOBAYASHI, KAZUHIRO;FURUSAKI, +, J. ORG. CHEM., 53,(1988) N5, C. 5952-5959
  作者：SUGINOME, HIROSHI、LIU, CHI FU、SEKO, SHINZO、KOBAYASHI, KAZUHIRO、FURUSAKI, +

  DOI：——

  日期：——