4-amino-1H-2,3-benzoxazine | 19722-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 4-amino-1H-2,3-benzoxazine
• 英文别名: 1H-benzo[d][1,2]oxazin-4-ylamine；4-Amino-1H-<2,3>benzoxazine；4-Amino-1H-2,3-benzossazina；4-Amino-1H-2,3-benzoxazin；1H-2,3-benzoxazin-4-amine
• CAS: 19722-28-2
• 化学式: C₈H₈N₂O
• mdl: MFCD19205017
• 分子量: 148.164
• InChiKey: MXXDVTPVSQJSJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-amino-1H-2,3-benzoxazine 在 盐酸 作用下， 生成 2-aminooxymethyl-benzoic acid
  参考文献：
  名称：

  Pifferi; Consonni; Testa, Farmaco, Edizione Scientifica, 1968, vol. 23, # 6, p. 554 - 567

  摘要：

  DOI：
• 作为产物：
  描述：

  4-chloro-1H-2,3-benzoxazine 生成 4-amino-1H-2,3-benzoxazine
  参考文献：
  名称：

  Pifferi; Consonni; Testa, Farmaco, Edizione Scientifica, 1968, vol. 23, # 6, p. 554 - 567

  摘要：

  DOI：

文献信息

• Application of a recyclable fluorous oxime in the convenient synthesis of 3-amino-1,2-benzisoxazoles and 4-amino-1H-2,3-benzoxazines
  作者：Wei Jie Ang、Chi-Yuan Chu、Tzyy-Chao Chou、Lee-Chiang Lo、Yulin Lam

  DOI：10.1039/c3gc36966h

  日期：——

  A microwave-assisted, fluorous synthetic route to 3-amino-1,2-benzisoxazoles and 4-amino-1H-2,3-benzoxazines has been developed. The strategy comprises linking the respective 2-fluorobenzonitrile or 2-(bromomethyl)benzonitrile to a fluorous oxime tag to give an aryloxime intermediate which then undergoes cyclization with concomitant cleavage of the substrate-tag in acidic conditions to provide the

  已开发出一种微波辅助的氟合成路线，用于 3-氨基-1,2-苯并恶唑和4-氨基-1 H -2,3-苯并恶嗪。该策略包括将各自的2-氟苄腈或2-（溴甲基）苄腈与氟肟标签连接，得到芳基肟中间体，然后将其进行环化，同时在酸性条件下将底物标签裂解，从而提供所需的产物，中等至中等产量。另外，可以使芳基肟中间体进一步反应以扩展化合物库。可以使用氟固相萃取（F-SPE）轻松分离产物，回收的氟酮可以转化回氟肟，并在下一轮合成中重复使用。
• AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF
  申请人：ELI LILLY AND COMPANY

  公开号：EP1135023A1

  公开（公告）日：2001-09-26
• EP1135023A4
  申请人：——

  公开号：EP1135023A4

  公开（公告）日：2003-03-05
• [EN] AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF<br/>[FR] COMPOSES AMINOBENZISOXAZOLE ET BANQUES CONTENANT DE TELS COMPOSES
  申请人：LILLY CO ELI

  公开号：WO2000027199A1

  公开（公告）日：2000-05-18

  This invention is directed to aminobenzisoxazole compounds, methods for producing such compounds and libraries thereof. This library is useful for screening the biological activity of the aminobenzisoxazole compounds.
• [EN] ARYLOXIME LINKERS IN THE SOLID-PHASE SYNTHESIS OF 3-AMINOBENZISOXAZOLES<br/>[FR] LIEURS D'ARYLOXIME DANS LA SYNTHESE DE LA PHASE SOLIDE DE 3-AMINOBENZISOXAZOLES
  申请人：LILLY CO ELI

  公开号：WO2000027627A1

  公开（公告）日：2000-05-18

  In its first aspect, the invention is directed to a solid support mediated method for the synthesis of diverse polycyclic heterocycles according to general formula (V). A second aspect of the invention is directed to a solid support bound intermediate compound that optionally can be derivatized before a cyclization and displacement procedure provides a product. The intermediate is preferably stable to a wide range of chemical conditions thus allowing, if desired, for the chemical derivatization of the intermediate. A third aspect of the invention is directed to a library of polycyclic heterocycle compounds where said library contains a plurality of diverse library compounds of general formula (V). A fourth aspect of the invention is directed to a method for the synthesis of a library of diverse polycyclic heterocycles by the general method described. A fifth aspect of the invention is directed to an assay kit for the identification of lead compounds of the library described therein.