2-[ethoxycarbonyl-(2-tritylamino-thiazol-4-yl)-methyleneaminooxy]-2-methyl-propionic acid tert-butyl ester | 68672-65-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 2-[ethoxycarbonyl-(2-tritylamino-thiazol-4-yl)-methyleneaminooxy]-2-methyl-propionic acid tert-butyl ester
• 英文别名: ethyl (Z)-α-{[2-(tert-butoxy)-1,1-dimethyl-2-oxoethoxy]imino}-2-(tritylamino)thiazol-4-acetate；ethyl 2-(2-tritylamino-4-thiazolyl)-2-(1-tert.-butoxycarbonyl-1-methylethyl oxyimino)-acetate；tert-butyl 2-[[2-ethoxy-2-oxo-1-[2-(tritylamino)-1,3-thiazol-4-yl]ethylidene]amino]oxy-2-methylpropanoate
• CAS: 68672-65-1
• 化学式: C₃₄H₃₇N₃O₅S
• 分子量: 599.751
• InChiKey: YHCVDVUWNPSSMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  43
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  127
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-[ethoxycarbonyl-(2-tritylamino-thiazol-4-yl)-methyleneaminooxy]-2-methyl-propionic acid tert-butyl ester 在 氢氧化钾 作用下， 以 N-甲基乙酰胺 、 甲醇 、 氯仿 、 水 为溶剂， 生成 2-(2-tritylamino-4-thiazolyl)-2-(1-tert-butoxycarbonyl-1-methylethyloxyimino)-acetic acid
  参考文献：
  名称：

  Cephalosporanic acid derivatives

  摘要：

  化合物的新同分异构体为7-氨基噻唑基乙酰胺基-3-乙酰氧甲基头孢菌素衍生物，其化学式为##STR1##其中R.sub.1选自--CN，--CONH.sub.2和--COOR.sub.1'的群体，R.sub.1'选自1至3个碳原子的烷基，氢，碱金属，碱土金属，铵，镁和非毒性、药学上可接受的有机胺，A选自氢，碱金属，碱土金属，铵，镁和非毒性、药学上可接受的有机胺，R'和R"分别选自氢和1至3个碳原子的烷基，其中##STR2##群体处于同位素位置，但是当R.sub.1是--COOR.sub.1'且R.sub.1'是氢时，A为氢，当R.sub.1是--COOR.sub.1'且R.sub.1'是碱金属，碱土金属，镁，铵或有机胺时，A为具有抗生素性质的碱金属，碱土金属，镁，铵或有机胺，并提供了新的中间体和工艺。

  公开号：

  US04288434A1
• 作为产物：
  描述：

  Ethyl 2-(Z)-hydroxyimino-2-(2-tritylaminothiazol-4-yl)acetate hydrochloride 、 2-溴代异丁酸叔丁酯 在 potassium carbonate 作用下， 以 N-甲基乙酰胺 、 乙酸乙酯 、 Petroleum ether 为溶剂， 生成 2-[ethoxycarbonyl-(2-tritylamino-thiazol-4-yl)-methyleneaminooxy]-2-methyl-propionic acid tert-butyl ester
  参考文献：
  名称：

  Cephalosporanic acid derivatives

  摘要：

  化合物的新同分异构体为7-氨基噻唑基乙酰胺基-3-乙酰氧甲基头孢菌素衍生物，其化学式为##STR1##其中R.sub.1选自--CN，--CONH.sub.2和--COOR.sub.1'的群体，R.sub.1'选自1至3个碳原子的烷基，氢，碱金属，碱土金属，铵，镁和非毒性、药学上可接受的有机胺，A选自氢，碱金属，碱土金属，铵，镁和非毒性、药学上可接受的有机胺，R'和R"分别选自氢和1至3个碳原子的烷基，其中##STR2##群体处于同位素位置，但是当R.sub.1是--COOR.sub.1'且R.sub.1'是氢时，A为氢，当R.sub.1是--COOR.sub.1'且R.sub.1'是碱金属，碱土金属，镁，铵或有机胺时，A为具有抗生素性质的碱金属，碱土金属，镁，铵或有机胺，并提供了新的中间体和工艺。

  公开号：

  US04288434A1

文献信息

• 2-(2-Amino-4-thiazolyl)-2-methoxyimino-acetic acid derivatives
  申请人：Roussel Uclaf

  公开号：US04386210A1

  公开（公告）日：1983-05-31

  Novel syn isomers of 7-amino-thiazolyl-acetamido-3-acetoxymethyl-cephalosporanic acid derivatives of the formula ##STR1## wherein R.sub.1 is selected from the group consisting of --CN, --CONH.sub.2 and --COOR.sub.1 ', R.sub.1 ' is selected from the group consisting of alkyl of 1 to 3 carbon atoms, hydrogen, alkali metal, alkaline earth metal, ammonium, magnesium and a non-toxic, pharmaceutically acceptable organic amine, A is selected from the group consisting of hydrogen, alkali metal, alkaline earth metal, ammonium, magnesium and a non-toxic, pharmaceutically acceptable organic amine, R' and R" are individually selected from the group consisting of hydrogen and alkyl of 1 to 3 carbon atoms with the ##STR2## group in the syn position with the proviso that when R.sub.1 is --COOR.sub.1 ' and R.sub.1 ' is hydrogen, A is hydrogen and when R.sub.1 is --COOR.sub.1 ' and R.sub.1 ' is an alkali metal, alkaline earth metal, magnesium, ammonium or an organic amine, A is an alkali metal, alkaline earth metal, magnesium, ammonium or an organic amine having antibiotic properties and novel intermediates and processes.

  这是一段关于7-氨基噻唑基乙酰胺基-3-乙酰氧甲基头孢菌素衍生物的新异构体的描述，其化学式为 ##STR1## 其中R.sub.1选自--CN，--CONH.sub.2和--COOR.sub.1'的群体，R.sub.1'选自1到3碳原子的烷基，氢，碱金属，碱土金属，铵，镁和一种无毒的、药学上可接受的有机胺，A选自氢，碱金属，碱土金属，铵，镁和一种无毒的、药学上可接受的有机胺，R'和R"各自选自氢和1到3碳原子的烷基，其中##STR2##的群体处于同构位置，但当R.sub.1为--COOR.sub.1'且R.sub.1'为氢时，A为氢，当R.sub.1为--COOR.sub.1'且R.sub.1'为碱金属、碱土金属、镁、铵或有机胺时，A为具有抗生素性质的碱金属、碱土金属、镁、铵或有机胺，并且提供了新的中间体和工艺。
• 2-(2-Substitutedamino-4-thiazolyl)-2-(1-methoxy-isopropoxyimino)-acetic
  申请人：Roussel Uclaf

  公开号：US04487937A1

  公开（公告）日：1984-12-11

  Novel syn isomers of 7-amino-thiazolyl-acetamido-3-acetoxymethyl-cephalosporanic acid derivatives of the formula ##STR1## wherein R.sub.1 is selected from the group consisting of --CN, --CONH.sub.2 and --COOR.sub.1 ', R.sub.1 ' is selected from the group consisting of alkyl of 1 to 3 carbon atoms, hydrogen, alkali metal, alkaline earth metal, ammonium, magnesium and a non-toxic, pharmaceutically acceptable organic amine, A is selected from the group consisting of hydrogen, alkali metal, alkaline earth metal, ammonium, magnesium and a non-toxic, pharmaceutically acceptable organic amine, R' and R" are individually selected from the group consisting of hydrogen and alkyl of 1 to 3 carbon atoms with the ##STR2## group in the syn position with the proviso that when R.sub.1 is --COOR.sub.1 ' and R.sub.1 ' is hydrogen, A is hydrogen and when R.sub.1 is --COOR.sub.1 ' and R.sub.1 ' is an alkali metal alkaline earth metal, magnesium, ammonium or an organic amine, A is an alkali metal, alkaline earth metal, magnesium, ammonium or an organic amine having antibiotic properties and novel intermediates and processes.

  该文中介绍了一种新型的7-氨基噻唑乙酰胺基-3-乙酰氧甲基头孢菌素衍生物的同构体，其化学式为##STR1##其中R.sub.1选自--CN，--CONH.sub.2和--COOR.sub.1'的群体，R.sub.1'选自1至3个碳原子的烷基，氢，碱金属，碱土金属，铵，镁和无毒的药用可接受的有机胺，A选自氢，碱金属，碱土金属，铵，镁和无毒的药用可接受的有机胺，R'和R"分别选自氢和1至3个碳原子的烷基，其中##STR2##的位置为同构体，但当R.sub.1为--COOR.sub.1'，R.sub.1'为氢时，A为氢，当R.sub.1为--COOR.sub.1'，R.sub.1'为碱金属，碱土金属，镁，铵或有机胺时，A为具有抗生素性质的碱金属，碱土金属，镁，铵或有机胺，并提供了新型中间体和制备方法。
• Cephalosporanic acid derivatives
  申请人：Roussel Uclaf

  公开号：US04288434A1

  公开（公告）日：1981-09-08

  Novel syn isomers of 7-amino-thiazolyl-acetamido-3-acetoxymethyl-cephalosporanic acid derivatives of the formula ##STR1## wherein R.sub.1 is selected from the group consisting of --CN, --CONH.sub.2 and --COOR.sub.1 ', R.sub.1 ' is selected from the group consisting of alkyl of 1 to 3 carbon atoms, hydrogen, alkali metal, alkaline earth metal, ammonium, magnesium and a non-toxic, pharmaceutically acceptable organic amine, A is selected from the group consisting of hydrogen, alkali metal, alkaline earth metal, ammonium, magnesium and a non-toxic, pharmaceutically acceptable organic amine, R' and R" are individually selected from the group consisting of hydrogen and alkyl of 1 to 3 carbon atoms with the ##STR2## group in the syn position with the proviso that when R.sub.1 is --COOR.sub.1 ' and R.sub.1 ' is hydrogen, A is hydrogen and when R.sub.1 is --COOR.sub.1 ' and R.sub.1 ' is an alkali metal, alkaline earth metal, magnesium, ammonium or an organic amine, A is an alkali metal, alkaline earth metal, magnesium ammonium or an organic amine having antibiotic properties and novel intermediates and processes.

  化合物的新同分异构体为7-氨基噻唑基乙酰胺基-3-乙酰氧甲基头孢菌素衍生物，其化学式为##STR1##其中R.sub.1选自--CN，--CONH.sub.2和--COOR.sub.1'的群体，R.sub.1'选自1至3个碳原子的烷基，氢，碱金属，碱土金属，铵，镁和非毒性、药学上可接受的有机胺，A选自氢，碱金属，碱土金属，铵，镁和非毒性、药学上可接受的有机胺，R'和R"分别选自氢和1至3个碳原子的烷基，其中##STR2##群体处于同位素位置，但是当R.sub.1是--COOR.sub.1'且R.sub.1'是氢时，A为氢，当R.sub.1是--COOR.sub.1'且R.sub.1'是碱金属，碱土金属，镁，铵或有机胺时，A为具有抗生素性质的碱金属，碱土金属，镁，铵或有机胺，并提供了新的中间体和工艺。