methoxy-5 carboxamido-2 benzofuranne | 35351-22-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: methoxy-5 carboxamido-2 benzofuranne
• 英文别名: 5-Methoxy-1-benzofuran-2-carboxamide
• CAS: 35351-22-5
• 化学式: C₁₀H₉NO₃
• 分子量: 191.186
• InChiKey: UQJXLYGQJFMRFP-UHFFFAOYSA-N

物化性质

• 沸点：
  396.2±22.0 °C(Predicted)
• 密度：
  1.282±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methoxy-5 carboxamido-2 benzofuranne 以95%的产率得到
  参考文献：
  名称：

  BACHELET, J. -P.;CLAVEL, J. -M.;DEMERSEMAN, P.;ROYER, R., J. HETEROCYCL. CHEM., 1984, 21, N 1, 177-180

  摘要：

  DOI：
• 作为产物：
  描述：

  5-甲氧基苯并呋喃-2-甲酸 在 氯化亚砜 、 氨 作用下， 以 苯 、 四氢呋喃 为溶剂， 生成 methoxy-5 carboxamido-2 benzofuranne
  参考文献：
  名称：

  摘要：

  The synthesis and transition temperatures are reported for several 2-(4-alkyl- and 4-alkoxy-phenyl)-5-cyano-1-benzofurans, 2-(4'-alkylbiphenyl-4-yl)-5-cyano- and 5-(4'-alkylbiphenyl-4-yl)-2-cyano-1-benzofurans, and for compounds with other combinations of terminal alkyl and cyano groups in 2,5-disubstituted-1-benzofurans containing two phenyl units; some isolated examples of related cyclohexane systems are also presented. The mesogenic behaviour of these compounds and several intermediates (e.g. amides, acids and esters) is discussed and the transition temperatures are rationalised on the following basis (a) 1-benzofuran is a superior core unit to benzene, (b) 2,5-disubstitution in 1-benzofuran gives a bent core which adversely affects mesogenicity, to an extent which depends on its position in the core, (c) antiparallel associations in terminal cyano compounds can eliminate the disadvantage of a bent core structure, (d) 2-aryl-1-benzofurans have negligible inter-annular twist but 5-aryl-1-benzofurans have similar inter-annular twist to that in biphenyls.

  DOI：

  10.1039/b102837p

文献信息

• ——
  作者：Mark R. Friedman、Kenneth J. Toyne、John W. Goodby、Michael Hird

  DOI：10.1039/b102837p

  日期：2001.10.23

  The synthesis and transition temperatures are reported for several 2-(4-alkyl- and 4-alkoxy-phenyl)-5-cyano-1-benzofurans, 2-(4'-alkylbiphenyl-4-yl)-5-cyano- and 5-(4'-alkylbiphenyl-4-yl)-2-cyano-1-benzofurans, and for compounds with other combinations of terminal alkyl and cyano groups in 2,5-disubstituted-1-benzofurans containing two phenyl units; some isolated examples of related cyclohexane systems are also presented. The mesogenic behaviour of these compounds and several intermediates (e.g. amides, acids and esters) is discussed and the transition temperatures are rationalised on the following basis (a) 1-benzofuran is a superior core unit to benzene, (b) 2,5-disubstitution in 1-benzofuran gives a bent core which adversely affects mesogenicity, to an extent which depends on its position in the core, (c) antiparallel associations in terminal cyano compounds can eliminate the disadvantage of a bent core structure, (d) 2-aryl-1-benzofurans have negligible inter-annular twist but 5-aryl-1-benzofurans have similar inter-annular twist to that in biphenyls.
• Bachelet, Jean-Pierre; Clavel, Jean-Marc; Demerseman, Pierre, Journal of Heterocyclic Chemistry, 1984, vol. 21, p. 177 - 180
  作者：Bachelet, Jean-Pierre、Clavel, Jean-Marc、Demerseman, Pierre、Royer, Rene

  DOI：——

  日期：——
• BACHELET, J. -P.;DEMERSEMAN, P.;ROYER, R., J. HETEROCYCL. CHEM., 1983, 20, N 5, 1175-1179
  作者：BACHELET, J. -P.、DEMERSEMAN, P.、ROYER, R.

  DOI：——

  日期：——
• Bachelet, Jean-Pierre; Demerseman, Pierre; Royer, Rene, Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 1175 - 1179
  作者：Bachelet, Jean-Pierre、Demerseman, Pierre、Royer, Rene

  DOI：——

  日期：——
• T1R hetero-oligomeric taste receptors, cell lines that express said receptors, and taste compounds
  申请人：Li Xiaodong

  公开号：US20080085994A1

  公开（公告）日：2008-04-10

  The invention relates to compounds that specifically bind a T1R1/T1R3 or T1R2/T1R3 receptor or fragments or subunits thereof. The present invention also relates to the use of hetero-oligomeric and chimeric taste receptors comprising T1R1/T1R3 and T1R2/T1R3 in assays to identify compounds that respectively respond to umami taste stimuli and sweet taste stimuli. Further, the invention relates to the constitutive of cell lines that stably or transiently co-express a combination of T1R1 and T1R3; or T1R2 and T1R3; under constitutive or inducible conditions. The use of these cells lines in cell-based assays to identify umami and sweet taste modulatory compounds is also provided, particularly high throughput screening assays that detect receptor activity by use of fluorometric imaging.