diethyl 3-formylpentanedioate | 595583-39-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: diethyl 3-formylpentanedioate
• 英文别名: 3-Formyl-pentanedioic acid diethyl ester；1,5-Diethyl 3-formylpentanedioate
• CAS: 595583-39-4
• 化学式: C₁₀H₁₆O₅
• 分子量: 216.234
• InChiKey: WOKZNUROEGZGHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diethyl 3-formylpentanedioate 在 sodium hydroxide 、 potassium carbonate 作用下， 以 乙醇 为溶剂， 生成 4-Ethynyl-dihydro-pyran-2,6-dione
  参考文献：
  名称：

  Convergent, parallel synthesis of a series of β-substituted 1,2,4-oxadiazole butanoic acids as potent and selective αvβ3 receptor antagonists

  摘要：

  We describe a series of 1,2,4-oxadiazoles, which are potent antagonists of the integrin alpha(V)beta(3) and, in addition, show selectivity relative to the other beta(3) integrin alpha(IIB)beta(3). In whole cells, the majority of these analogs also demonstrated modest selectivity against other alpha(V), integrins such as alpha(V)beta(1) and alpha(V)beta(6). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.008
• 作为产物：
  描述：

  3-Dimethoxymethyl-pentanedioic acid diethyl ester 在 溶剂黄146 作用下， 生成 diethyl 3-formylpentanedioate
  参考文献：
  名称：

  Convergent, parallel synthesis of a series of β-substituted 1,2,4-oxadiazole butanoic acids as potent and selective αvβ3 receptor antagonists

  摘要：

  We describe a series of 1,2,4-oxadiazoles, which are potent antagonists of the integrin alpha(V)beta(3) and, in addition, show selectivity relative to the other beta(3) integrin alpha(IIB)beta(3). In whole cells, the majority of these analogs also demonstrated modest selectivity against other alpha(V), integrins such as alpha(V)beta(1) and alpha(V)beta(6). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.008

文献信息

• Photoredox Catalyzed C(sp³)–C(sp³) Coupling of α-Bromoesters and Triethylamine
  作者：Allie W. Guerra、Joshua G. Pierce

  DOI：10.1021/acs.joc.3c02394

  日期：2024.1.5