Methyl 4,5,6,7-tetrahydro-2,1-benzisoxazole-3-carboxylate | 261350-49-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Methyl 4,5,6,7-tetrahydro-2,1-benzisoxazole-3-carboxylate
• 英文别名: methyl 4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxylate
• CAS: 261350-49-6
• 化学式: C₉H₁₁NO₃
• 分子量: 181.191
• InChiKey: NVYXEVYAKDJVGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-trichloroacetylcyclohexanone 在 盐酸 、 硫酸 、 盐酸羟胺 作用下， 反应 12.0h， 生成 Methyl 4,5,6,7-tetrahydro-2,1-benzisoxazole-3-carboxylate
  参考文献：
  名称：

  A convenient one-pot synthesis of 5-carboxyisoxazoles: trichloromethyl group as a carboxyl group precursor

  摘要：

  The one-pot synthesis of ten 5-carboxyisoxazoles from the cyclocondensation of beta-alkoxyvinyl trichloromethyl ketones [CCl3C(O)C(R-2)=C(R-1)OR, where R-1, R-2=H, Me and R=Me, Et] and 2-trichloroacetyl cyclohexanone with hydroxylamine is reported. This work shows that the trichloromethyl group attached to beta-alkoxyvinyl trichloromethyl ketones (a heterocyclic CCC building block) is an excellent carboxyl group precursor. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)02047-x

文献信息

• A convenient one-pot synthesis of 5-carboxyisoxazoles: trichloromethyl group as a carboxyl group precursor
  作者：Marcos A.P. Martins、Alex F.C. Flores、Giovani P. Bastos、Adilson Sinhorin、Helio G. Bonacorso、Nilo Zanatta

  DOI：10.1016/s0040-4039(99)02047-x

  日期：2000.1

  The one-pot synthesis of ten 5-carboxyisoxazoles from the cyclocondensation of beta-alkoxyvinyl trichloromethyl ketones [CCl3C(O)C(R-2)=C(R-1)OR, where R-1, R-2=H, Me and R=Me, Et] and 2-trichloroacetyl cyclohexanone with hydroxylamine is reported. This work shows that the trichloromethyl group attached to beta-alkoxyvinyl trichloromethyl ketones (a heterocyclic CCC building block) is an excellent carboxyl group precursor. (C) 2000 Elsevier Science Ltd. All rights reserved.