tert.-butyl 3-isopropyl-2-oxo-3-butenoate | 49653-56-7

• 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: tert.-butyl 3-isopropyl-2-oxo-3-butenoate
• 英文别名: tert,butyl 3-isopropyl-2-oxo-3-butenoate；tert-butyl 3-isopropyl-2-oxo-3-butenoate；3-Isopropyl-2-oxo-3-butensaeure-tert.-butylester；tert-Butyl-3-isopropyl-2-oxo-3-butenoat；tert-butyl 4-methyl-3-methylidene-2-oxopentanoate
• CAS: 49653-56-7
• 化学式: C₁₁H₁₈O₃
• 分子量: 198.262
• InChiKey: GVKWLORVCQDUPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  六甲基磷酰三胺 、 tert.-butyl 2-chloro-2,3-epoxy-3-isopropyl-butanoate 在 lithium bromide 作用下， 以 水 、 lithium carbonate 、 Petroleum ether 为溶剂， 生成 tert.-butyl 3-isopropyl-2-oxo-3-butenoate
  参考文献：
  名称：

  Cephalosporin derivatives

  摘要：

  新型去乙酰氧头孢菌素衍生物，其化学式如上，为外消旋或光学活性形式、顺反式及其混合物，其中R选自氨基苯基和R'，R'选自苯基（可选择性地被至少一个选自卤素、硝基和5至6元杂环基团的成员取代），Y选自氨基、NHCOOR"（其中R"为1至5个碳原子的烷基、氢或羟基），A选自以下结构： 其中至少两个R2、R3和R4为1至3个碳原子的烷基，第三个为氢或1至3个碳原子的烷基，总碳原子数不超过5，以及3至7个碳原子的环烷基（可选择性地含有一个杂原子），R1选自氢、易酸水解基团和易氢解移除基团，但有条件限制：当R为氨基苯基时，Y不同于氨基和NHCOOR"，且R1为氢；当Y为氨基时，R1为氢；以及与适当的有机和无机碱或酸形成的非毒性、药学上可接受的加成盐，这些盐具有抗菌活性。

  公开号：

  US04016158A1

文献信息

• Substituted cephene-4-carboxylates and their method of preparation
  申请人：Roussel-UCLAF

  公开号：US03962223A1

  公开（公告）日：1976-06-08

  Novel desacetoxycephalosporin derivatives of the formula ##EQU1## in racemic or optically active form or cis and trans forms and mixtures thereof wherein R is selected from the group consisting of aminophenyl and R', R' is selected from the group consisting of phenyl optionally substituted with at least one member of the group consisting of halogen and nitro and a 5 to 6 member heterocyclic group, Y is selected from the group consisting of amino, NHCOOR" where R" is alkyl of 1 to 5 carbon atoms, hydrogen and hydroxy, A is selected from the group consisting of alkyl of 2 to 5 carbon atoms and cycloalkyl of 3 to 7 carbon atoms optionally containing a heteroatom and R.sub.1 is selected from the group consisting of hydrogen, easily acid hydrolyzable group and easily hydrogenolysis removable group, with the proviso that when R is aminophenyl Y is other than amino and NHCOOR" and R.sub.1 is hydrogen and when Y is amino, R.sub.1 is hydrogen and the non-toxic pharmaceutically acceptable addition salts of with organic and inorganic bases and acids where appropriate which have antibacterial activity and a novel process for their preparation and novel intermediates therefor.

  新型去乙酰氧基头孢菌素衍生物，其化学式为##EQU1##，以消旋或光学活性形式或顺反式及其混合物存在，其中R选自氨基苯基和R'，R'选自苯基，该苯基可选择性地被至少一个选自卤素、硝基和5至6元杂环基团的成员取代；Y选自氨基、NHCOOR"（其中R"为1至5个碳原子的烷基、氢和羟基）；A选自2至5个碳原子的烷基和3至7个碳原子的环烷基，该环烷基可选择性地含有一个杂原子；R.sub.1选自氢、易酸解的基团和易氢解移除的基团，但条件是当R为氨基苯基时，Y不是氨基和NHCOOR"，且R.sub.1为氢；当Y为氨基时，R.sub.1为氢；以及与适当的有机和无机碱和酸形成的非毒性药用可接受的加成盐，这些盐具有抗菌活性，并涉及一种制备它们的新方法及其新中间体。
• Cephalosporan compounds
  申请人：Roussel-UCLAF

  公开号：US03940354A1

  公开（公告）日：1976-02-24

  Cephalosporon compounds of the formula ##SPC1## In the form of racemic mixtures or optically active isomers or in the form of their cis or trans isomers or mixtures thereof wherein R is selected from the group consisting of phenyl substituted with at least one hydroxyl and sydnone optionally substituted with phenyl, R' is selected from the group consisting of hydrogen and R", R" is an ester group easily removable by acid hydrolysis or hydrogenolysis, R.sub.1 and R.sub.2 are alkyl of 1 to 3 carbon atoms, R.sub.3 is selected from the group consisting of hydrogen and alkyl of 1 to 3 carbon atoms, Y is selected from the group consisting of amino and Y', Y' is hydrogen and NHCOOZ, Z is straight or branched alkyl of 1 to 5 carbon atoms and their non-toxic, pharmaceutically acceptable addition salts with organic and inorganic acids and bases where appropriate with the proviso that when Y is amino, R' is hydrogen and when Y is amino or NHCOOZ, R is phenyl which have antibacterial activity and their preparation.

  式为##SPC1##的头孢菌素化合物，可以是外消旋混合物或旋光异构体，也可以是它们的顺式或反式异构体或它们的混合物，其中R从苯基中选择至少一个羟基取代和苯基可选地取代的sydnone群中选择，R'从氢和R"群中选择，R"是易于通过酸水解或氢解去除的酯基，R1和R2是1至3个碳原子的烷基，R3从氢和1至3个碳原子的烷基中选择，Y从氨基和Y'群中选择，Y'是氢和NHCOOZ，Z是1至5个碳原子的直链或支链烷基，且它们的非毒性、药学上可接受的有机和无机酸和碱的加成盐，适当时还有一个条件，即当Y为氨基时，R'为氢，当Y为氨基或NHCOOZ时，R为苯基，具有抗菌活性，以及它们的制备方法。
• Hydroxy-phenylacetamido cephalosporin compositions and method of use
  申请人：Roussel-UCLAF

  公开号：US04053597A1

  公开（公告）日：1977-10-11

  Cephalosporan compounds of the formula ##STR1## in the form of racemic mixtures or optically active isomers or in the form of their cis or trans isomers or mixtures thereof wherein R is selected from the group consisting of phenyl substituted with at least one hydroxyl and sydnone optionally substituted with phenyl, R' is selected from the group consisting of hydrogen and R", R" is an ester group easily removable by acid hydrolysis or hydrogenolysis, R.sub.1 and R.sub.2 are alkyl of 1 to 3 carbon atoms, R.sub.3 is selected from the group consisting of hydrogen and alkyl of 1 to 3 carbon atoms, Y is selected from the group consisting of amino and Y', Y' is hydrogen and NHCOOZ, Z is straight or branched alkyl of 1 to 5 carbon atoms and their non-toxic, pharmaceutically acceptable addition salts with organic and inorganic acids and bases where appropriate with the proviso that when Y is amino, R' is hydrogen and when Y is amino or NHCOOZ, R is phenyl which have antibacterial activity and their preparation.

  公式为 ## STR1 ## 的头孢菌素化合物，以外消旋混合物或光学活性异构体或其顺反异构体或其混合物的形式存在，其中R选择自苯基，该苯基被至少一个羟基取代和选择自可选用苯基取代的sydnone；R'选择自氢和R"，R"是易于通过酸水解或氢解去除的酯基；R.sub.1和R.sub.2是1到3个碳原子的烷基；R.sub.3选择自氢和1到3个碳原子的烷基；Y选择自氨基和Y'，Y'是氢和NHCOOZ，Z是1到5个碳原子的直链或支链烷基，以及它们的无毒、药学上可接受的有机和无机酸和碱盐，适当时与所述的酸和碱结合，但当Y为氨基时，R'为氢，当Y为氨基或NHCOOZ时，R为苯基，具有抗菌活性，并且其制备方法。
• US3940354A
  申请人：——

  公开号：US3940354A

  公开（公告）日：1976-02-24
• US3962223A
  申请人：——

  公开号：US3962223A

  公开（公告）日：1976-06-08