N-(2,2-diethoxyethyl)oxamate ethyl ester | 923-98-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(2,2-diethoxyethyl)oxamate ethyl ester
• 英文别名: ethyl N-(2-diethoxyethyl)oxamate；ethyl N-(2,2-diethoxyethyl)oxamate；Oxalsaeure-ethylester-<2,2-diethoxy-ethylamid>；Ethoxalylaminoacetaldehyd-diethylacetal；ethyl 2-(2,2-diethoxyethylamino)-2-oxoacetate
• CAS: 923-98-8
• 化学式: C₁₀H₁₉NO₅
• 分子量: 233.265
• InChiKey: VQUKPNIJPDQDHU-UHFFFAOYSA-N

物化性质

• 沸点：
  146-152 °C(Press: 4 Torr)
• 密度：
  1.079±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(2,2-diethoxyethyl)oxamate ethyl ester 生成 N-ethyl-N'-(2,2-diethoxyethyl)oxamide
  参考文献：
  名称：

  SADAKI, XIROSI;IMAIDZUMI, XIROYUKI;NAGAI, FUNADO;TAKEHDA, KEHNDZI;AKIKAN,+

  摘要：

  DOI：
• 作为产物：
  描述：

  氨基乙醛缩二乙醇 、 草酰氯单乙酯 以 苯 为溶剂， 生成 N-(2,2-diethoxyethyl)oxamate ethyl ester
  参考文献：
  名称：

  恶唑并[3，2- a ]吡啶鎓盐的合成

  摘要：

  描述了2-取代的恶唑并[3，2- a ]吡啶鎓盐的合成。用氢溴酸处理适当的2-（4-乙氧基丁酰基）-恶唑，然后环化并通过沸腾乙酸酐使其芳香化。尝试制备适合于母体恶唑吡啶鎓离子合成的2-取代的恶唑是失败的。两种恶唑并吡啶鎓盐的催化还原导致开环，得到N-取代的2-哌啶酮。

  DOI：

  10.1039/j39700001938

文献信息

• 7-amino-3-(pyrazinylmethyl) or (pyridazinylmethyl)-cephalosporins
  申请人：Toyama Chemical Co., Ltd.

  公开号：US04717767A1

  公开（公告）日：1988-01-05

  This invention relates to a 7-amino-3-(pyrazinylmethyl)- or (pyridazinylmethyl)-cephalosporins of the formula: ##STR1## wherein R.sup.1 represents a hydrogen atom or a carboxyl-protecting group; R.sup.2 represents a group of the formula: ##STR2## in which R.sup.6 represents a hydrogen atom, a C.sub.1-5 alkyl group or a di-C.sub.1-5 alkylamino group; R.sup.13 represents a C.sub.1-5 alkyl group; and R.sup.28 represents an amino group.

  本发明涉及式子的7-氨基-3-(吡嗪基甲基)-或(吡啶嗪基甲基)-头孢菌素：##STR1## 其中R1代表氢原子或羧基保护基；R2代表式子的一个基团：##STR2## 其中R6代表氢原子、C1-5烷基或双C1-5烷基氨基基团；R13代表C1-5烷基基团；R28代表氨基基团。
• Antibiotic 7-(thiazolyl)-3-(pyrazinylmethyl) or (pyridazinylmethyl)
  申请人：Toyama Chemical Co., Ltd.

  公开号：US04618606A1

  公开（公告）日：1986-10-21

  The invention relates to antibiotic compounds of the formula: ##STR1## wherein R.sup.1 represents a hydrogen atom or a carboxyl-protecting group; R.sup.2 represents a group of the formula: ##STR2## R.sup.3 represents a hydrogen atom or an alkoxy group; R.sup.4 represents a hydrogen atom or a halogen atom; R.sup.5 represents a hydrogen atom or a protected or unprotected amino group; A represents a group of the formula, --CH.sub.2 -- or a group of the formula, ##STR3## or a group of the formula, ##STR4## and the bond means that the compound may be a synisomer or an anti-isomer or a mixture thereof.

  本发明涉及公式为：##STR1##的抗生素化合物，其中R.sup.1代表氢原子或羧基保护基；R.sup.2代表公式为：##STR2##的基团；R.sup.3代表氢原子或烷氧基；R.sup.4代表氢原子或卤素原子；R.sup.5代表氢原子或受保护或未受保护的氨基基团；A代表公式为--CH.sub.2--的基团或公式为：##STR3##的基团或公式为：##STR4##的基团，其中键表示该化合物可以是同构体或反异构体或其混合物。
• Design of new potent and selective secretory phospholipase A2 inhibitors. 6-Synthesis, structure–activity relationships and molecular modelling of 1-substituted-4-[4,5-dihydro-1,2,4-(4H)-oxadiazol-5-one-3-yl(methyl)]-functionalized aryl piperazin/one/dione derivatives
  作者：Nadia Meddad-Belhabich、Darina Aoun、Atimé Djimdé、Catherine Redeuilh、Georges Dive、France Massicot、François Chau、Françoise Heymans、Aazdine Lamouri

  DOI：10.1016/j.bmc.2010.03.049

  日期：2010.5

  The group IIA human non-pancreatic secretory phospholipase A(2) (hnp-sPLA(2)) is one of the enzymes implied in the inflammatory process. In the course of our work on inhibitors of this enzyme we investigated the influence of rigidity of the piperazine region on the biological activity. Several modifications were explored. Various linkers, such as amide, urea, carbamate, or alkoxyphenyl were inserted between the piperazine and the lipophilic chain. Also, modification of the piperazine core to incorporate carbonyl groups was studied. In an in vitro fluorimetric assay using the human GIIA (HPLA(2)) and porcine pancreatic GIB enzymes, compound 60a (Y = phenoxy, R = C18H37, Z= CH2) had the optimal activity with an IC50 = 30 nM on HPLA(2). By means of molecular modelling we attempted to get informations towards comprehension of differences in activity. (C) 2010 Elsevier Ltd. All rights reserved.
• Dennin, F.; Blondeau, D.; Sliwa, H., Journal of Heterocyclic Chemistry, 1990, vol. 27, # 6, p. 1639 - 1643
  作者：Dennin, F.、Blondeau, D.、Sliwa, H.

  DOI：——

  日期：——
• Palamidessi,G.; Bonanomi,M., Farmaco, Edizione Scientifica, 1966, vol. 21, p. 799 - 804
  作者：Palamidessi,G.、Bonanomi,M.

  DOI：——

  日期：——