Ethyl 4-chloro-2-methoxycarbonyl-6-nitrophenoxyacetate | 123040-44-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ethyl 4-chloro-2-methoxycarbonyl-6-nitrophenoxyacetate
• 英文别名: methyl 5-chloro-2-(2-ethoxy-2-oxoethoxy)-3-nitrobenzoate
• CAS: 123040-44-8
• 化学式: C₁₂H₁₂ClNO₇
• 分子量: 317.683
• InChiKey: LOMXLGCAZFBROG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Ethyl 4-chloro-2-methoxycarbonyl-6-nitrophenoxyacetate 在 铁粉 、 溶剂黄146 作用下， 生成 6-氯-3,4-二氢-3-氧代-2H-1,4-苯并噁嗪-8-甲酸甲酯
  参考文献：
  名称：

  Optimization of triazoles as novel and potent nonphlorizin SGLT2 inhibitors

  摘要：

  Previous efforts have led to the identification of a potent, selective, and nonphlorizin based SGLT2 inhibitor 1. This Letter describes efforts to further optimize the potency, microsomal stability, solubility and pharmacokinetic properties of this series of SGLT2 inhibitors. From these efforts, compounds 28 and 32 have improved solubility and pharmacokinetic properties compared to compound 1 (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.053
• 作为产物：
  描述：

  溴乙酸乙酯 、 5-氯-2-羟基-3-硝基苯甲酸甲酯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 Ethyl 4-chloro-2-methoxycarbonyl-6-nitrophenoxyacetate
  参考文献：
  名称：

  Optimization of triazoles as novel and potent nonphlorizin SGLT2 inhibitors

  摘要：

  Previous efforts have led to the identification of a potent, selective, and nonphlorizin based SGLT2 inhibitor 1. This Letter describes efforts to further optimize the potency, microsomal stability, solubility and pharmacokinetic properties of this series of SGLT2 inhibitors. From these efforts, compounds 28 and 32 have improved solubility and pharmacokinetic properties compared to compound 1 (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.053

文献信息

• Benzoxazine compounds and pharmaceutical use thereof
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：EP0313393B1

  公开（公告）日：1994-03-16
• TAVARA, TEHTSUDZI;KAVAKITA, TAKEHSI;YASUMOTO, MITSUESI;FUKUDA, TAKEHMI
  作者：TAVARA, TEHTSUDZI、KAVAKITA, TAKEHSI、YASUMOTO, MITSUESI、FUKUDA, TAKEHMI

  DOI：——

  日期：——
• JPH0776581A
  申请人：——

  公开号：JPH0776581A

  公开（公告）日：1995-03-20
• US4892872A
  申请人：——

  公开号：US4892872A

  公开（公告）日：1990-01-09