diethyl 2-formylglutarate | 50537-71-8

• 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 2-formylglutarate
• 英文别名: 2-formyl-glutaric acid diethyl ester；2-Formyl-glutarsaeure-diaethylester；diethyl-2-formylglutarate；α-Formyl-glutarsaeure-diethylester；diethyl 2-formylpentanedioate
• CAS: 50537-71-8
• 化学式: C₁₀H₁₆O₅
• 分子量: 216.234
• InChiKey: STPVTVRFMCGMME-UHFFFAOYSA-N

物化性质

• 沸点：
  129 °C(Press: 3 Torr)
• 密度：
  1.090±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 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 2-formylglutarate 生成 ethyl 3-(3-hydroxy-1H-pyrazol-4-yl)propionate
  参考文献：
  名称：

  PROCESS FOR PRODUCTION OF PYRAZOLE COMPOUNDS

  摘要：

  提供一种制备嘧唑烷化合物的方法，该方法能够方便地高产得到嘧唑烷化合物，该化合物可用作制药中间体，例如治疗糖尿病等治疗剂的合成中间体。该制备方法包括将式（II）所表示的化合物与肼或其盐反应，其中n为1至4的整数，R1为具有取代基的烃基或其盐。式（II）中Q为具有取代基的羟基或氨基，R为具有取代基的烃基，其他符号如上所定义。

  公开号：

  EP1445254A1
• 作为产物：
  描述：

  戊二酸二乙酯 、 甲酸乙酯 生成 diethyl 2-formylglutarate
  参考文献：
  名称：

  PROCESS FOR PRODUCTION OF PYRAZOLE COMPOUNDS

  摘要：

  提供一种制备嘧唑烷化合物的方法，该方法能够方便地高产得到嘧唑烷化合物，该化合物可用作制药中间体，例如治疗糖尿病等治疗剂的合成中间体。该制备方法包括将式（II）所表示的化合物与肼或其盐反应，其中n为1至4的整数，R1为具有取代基的烃基或其盐。式（II）中Q为具有取代基的羟基或氨基，R为具有取代基的烃基，其他符号如上所定义。

  公开号：

  EP1445254A1

文献信息

• Process for production of pyrazole compounds
  申请人：Tawada Hiroyuki

  公开号：US20050014813A1

  公开（公告）日：2005-01-20

  As a method capable of conveniently producing a pyrazole compound in a high yield, which is useful as a synthetic intermediate for a pharmaceutical agent such as a therapeutic agent for diabetes and the like, a production method of a compound represented by the formula (I) wherein n is an integer of 1 to 4 and R 1 is a. hydrocarbon group optionally having substituents, or a salt thereof, is provided, which includes reacting a compound represented by the formula, (II) wherein Q is a hydroxy group optionally having substituents or an amino group optionally having substituents, R is a hydrocarbon group optionally having substituents and other symbols are as defined above, or a salt thereof, with hydrazine or a salt thereof.

  作为一种能够方便地高产生产吡唑烷化合物的方法，该方法对于制备药物中间体如治疗糖尿病等治疗剂非常有用，提供了一种化合物的生产方法，该化合物由式（I）所表示，其中n是1至4的整数，R1是一个烃基，可选择地具有取代基，或其盐，包括将由式（II）所表示的化合物与肼或其盐反应，其中Q是一个羟基，可选择地具有取代基，或一个氨基，可选择地具有取代基，R是一个烃基，可选择地具有取代基，其他符号如上所定义。
• 367. Two isomeric homologues of thiamine
  作者：J. Biggs、P. Sykes

  DOI：10.1039/jr9590001849

  日期：——
• Coumarin-Based Inhibitors of Bacillus anthracis and Staphylococcus aureus Replicative DNA Helicase: Chemical Optimization, Biological Evaluation, and Antibacterial Activities
  作者：Bing Li、Ramdas Pai、Ming Di、Daniel Aiello、Marjorie H. Barnes、Michelle M. Butler、Tommy F. Tashjian、Norton P. Peet、Terry L. Bowlin、Donald T. Moir

  DOI：10.1021/jm300922h

  日期：2012.12.27

  The increasing prevalence of drug-resistant bacterial infections demands the development of new antibacterials that are not subject to existing mechanisms of resistance. Previously, we described coumarin-based inhibitors of an underexploited bacterial target, namely the replicative helicase. Here we report the synthesis and evaluation of optimized coumarin-based inhibitors with 9-18-fold increased potency against Staphylococcus aureus (Sa) and Bacillus anthracis (Ba) helicases. Compounds 20 and 22 provided the best potency, with IC50 values of 3 and 1 mu M, respectively, against the DNA duplex strand-unwinding activities of both B. anthracis and S. aureus helicases without affecting the single strand DNA-stimulated ATPase activity. Selectivity index (SI = CC50/MIC) values against S. aureus and B. anthracis for compound 20 were 33 and 66 and for compound 22 were 20 and 40, respectively. In addition, compounds 20 and 22 demonstrated potent antibacterial activity against multiple ciprofloxacin-resistant MRSA strains, with MIC values ranging between 0.5 and 4.2 mu g/mL.
• EP1445254
  申请人：——

  公开号：——

  公开（公告）日：——
• Wrigglesworth, Roger; Inglis, W. David; Livingstone, Daniel B., Journal of the Chemical Society. Perkin transactions I, 1984, # 5, p. 959 - 963
  作者：Wrigglesworth, Roger、Inglis, W. David、Livingstone, Daniel B.、Suckling, Colin J.、Wood, Hamish C. S.

  DOI：——

  日期：——