Ethyl 2-(Z)-hydroxyimino-2-(2-tritylaminothiazol-4-yl)acetate hydrochloride | 80195-66-0

• 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: Ethyl 2-(Z)-hydroxyimino-2-(2-tritylaminothiazol-4-yl)acetate hydrochloride
• 英文别名: ethyl 2-(2-tritylaminothiazol-4-yl)-(Z)-2-hydroxyiminoacetate hydrochloride；hydrochloride of ethyl 2-(2-tritylamino-4-thiazolyl)-2-hydroxyimino-acetate；Ethyl 2-(2-tritylamino-4-thiazolyl)-2-hydroxyimino-acetate hydrochloride；ethyl 2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
• CAS: 80195-66-0
• 化学式: C₂₆H₂₃N₃O₃S*ClH
• 分子量: 494.014
• InChiKey: POPNOGAIIMCRTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.71
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  去甲氨噻肟酸乙酯 、 三乙胺 、 三苯基氯甲烷 、 、 在 ice 、 盐酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 以to obtain 69.3 g of the syn isomer of ethyl 2-(2-tritylamino-4-thiazolyl)-2-hydroxyimino-acetate HCl的产率得到Ethyl 2-(Z)-hydroxyimino-2-(2-tritylaminothiazol-4-yl)acetate hydrochloride
  参考文献：
  名称：

  3-Acetoxymethyl-7-(iminoacetamido)-cephalosporanic acid derivatives

  摘要：

  该化合物的式子为 ##STR1## 其中R为氢，R'选自含有2到4个碳原子的烯基和炔基的群体，A选自氢、碱金属和碱土金属或镁的等效物和有机胺基，OR'基位于同构位，具有抗生素活性，以及其制备方法。

  公开号：

  US04196205A1

文献信息

• Cephalosporin derivatives
  申请人：Imperial Chemical Industries plc

  公开号：US05049558A1

  公开（公告）日：1991-09-17

  A cephalosporin derivative of the formula I: ##STR1## in which X is ##STR2## represents one of C-7 acyl groups known in the cephalosporin art, R3 is hydrogen or methoxy, R4 is hydrogen, optionally substituted alkyl or allyl, and R5 is an aromatic heterocyclic ring system which is linked via carbon, and which contains a quaternized nitrogen atom.

  一种化学式为I的头孢菌素衍生物：##STR1## 其中X为##STR2## 代表头孢菌素领域已知的C-7酰基之一，R3为氢或甲氧基，R4为氢，可选择地取代的烷基或烯丙基，R5是通过碳链连接的含有季铵氮原子的芳香杂环环系统。
• Cephem compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04921851A1

  公开（公告）日：1990-05-01

  This invention relates to a compound of the formula: ##STR1## wherein Q is nitrogen or CH; R.sup.1 is hydrogen or a lower alkyl group which may be substituted; and ring A is a pyridine or pyridazine ring which is substituted at the ring-constituting carbon atom by a group of the formula: --E--(CH.sub.2).sub.n --R.sup.2 in which E is sulfur or NH; R.sup.2 is an amino, carbamoylamino, formylamino, acetylamino, N-formimidoylamino, N-acetimidoylamino, lower alkylamino, hydroxyl or carbamoyloxy group; and n is an integer of 2 to 4, or a pharmaceutically acceptable salt thereof. The compound (I) or a pharmaceutically acceptable sale thereof has excellent antibacterial activity and is used as antibiotics.

  本发明涉及一种具有以下结构的化合物：其中Q为氮或CH；R.sup.1为氢或可被取代的较低烷基基团；环A为在环构成碳原子上被以下式的基团取代的吡啶或吡啶嗪环：--E--(CH.sub.2).sub.n --R.sup.2，在其中E为硫或NH；R.sup.2为氨基、氨基甲酰胺、甲酰胺基、乙酰胺基、N-甲酰胺基、N-乙酰胺基、较低烷基氨基、羟基或羰基氧基团；n为2至4的整数，或其药学上可接受的盐。该化合物(I)或其药学上可接受的盐具有出色的抗菌活性，可用作抗生素。
• Oximes
  申请人：Roussel Uclaf

  公开号：US04439433A1

  公开（公告）日：1984-03-27

  Novel oximes of the syn isomers of 7-[2-(2-amino-4-thiazolyl)-acetamido]ceph-3-eme-4-carboxylic acid compounds of the fomrula ##STR1## wherein B is --(CH.sub.2).sub.n' --R.sub.5, n' is an integer from 1 to 4, R.sub.5 is ##STR2## R.sub.6 and R.sub.7 are individually selected from the group consisting of hydrogen and alkyl of 1 to 4 carbon atoms and when taken together with the nitrogen to which they are attached are selected from the group consisting of phthalimido and 1-pyridinyl, R.sub.1 is selected from the group consisting of chloro, CH.sub.3 O--, alkyl and alkylthio of 1 to 5 carbon atoms, cycloalkyl of 3 to 5 carbon atoms, --CH.sub.2 --S--R.sub.12, acetoxymethyl, carbamoyloxymethyl and ##STR3## R.sub.12 is selected from the group consisting of 2-oxo-(3H)-thiazolin-4-yl-carbonyl, 3-methyl-1,2-oxazol-5-yl-carbonyl, acyl of an alkanoic acid of 2 to 4 carbon atoms and a nitrogen heterocycle, Alka is alkyl of 1 to 4 carbon atoms and A is selected from the group consisting of hydrogen, --NH.sub.4, alkali metal, alkaline earth metal, magnesium, a non-toxic, pharmaceutically acceptable organic amine and easily cleaved ester and their non-toxic, pharmaceutically acceptable acid addition salts; having antibacterial activity and novel intermediates therefore.

  化合物的新型氧肟类似物，其为式子##STR1##的7-[2-(2-氨基-4-噻唑基)-乙酰胺基]头孢-3-酰基-4-羧酸化合物的同构体，其中B为--(CH.sub.2).sub.n' --R.sub.5，n'为1到4的整数，R.sub.5为##STR2## R.sub.6和R.sub.7分别选自氢和1到4个碳原子的烷基组成的群，当它们与它们所连接的氮一起被选自邻苯二甲酰亚胺和1-吡啶基的群时，R.sub.1选自氯，CH.sub.3 O--，1到5个碳原子的烷基和烷基硫醚，3到5个碳原子的环烷基，--CH.sub.2 --S--R.sub.12，醋酸甲氧甲基，氨甲酰氧甲基和##STR3## R.sub.12选自2-氧代-(3H)-噻唑烷-4-基-羰基，3-甲基-1,2-噁唑-5-基-羰基，2到4个碳原子的脂肪酸酰基和一个氮杂环，Alka为1到4个碳原子的烷基，A选自氢，--NH.sub.4，碱金属，碱土金属，镁，一种无毒的、药学上可接受的有机胺和容易被水解的酯及其无毒、药学上可接受的酸盐；具有抗菌活性和新型中间体。
• 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。
• 3-Acetoxymethyl-7-(iminoacetamido)-cephalosporanic acid derivatives
  申请人：Roussel Uclaf

  公开号：US04196205A1

  公开（公告）日：1980-04-01

  Compounds of the formula ##STR1## wherein R is hydrogen, R' is selected from the group consisting of alkenyl and alkynyl of 2 to 4 carbon atoms, A is selected from the group consisting of hydrogen, alkali metal and equivalents of an alkaline earth metal or magnesium and an organic amine base and the OR' group is in the syn position having antibiotic activity and process for their preparation.

  该化合物的式子为 ##STR1## 其中R为氢，R'选自含有2到4个碳原子的烯基和炔基的群体，A选自氢、碱金属和碱土金属或镁的等效物和有机胺基，OR'基位于同构位，具有抗生素活性，以及其制备方法。