ethyl 2-((Z)-2-bromoethoxyimino)-2-(2-tritylaminothiazol-4-yl)acetate | 69940-68-7

• 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)-2-bromoethoxyimino)-2-(2-tritylaminothiazol-4-yl)acetate
• 英文别名: ethyl 2-(2-tritylamino-4-thiazolyl)-2-(2-bromoethoxyimino)-acetate；ethyl 2-(2-tritylaminothiazol-4-yl)-2-((Z)-2-bromoethoxyimino)acetate；ethyl (2Z)-2-(2-bromoethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
• CAS: 69940-68-7
• 化学式: C₂₈H₂₆BrN₃O₃S
• 分子量: 564.503
• InChiKey: BFICUYMMIFCNTD-MKCFTUBBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 2-((Z)-2-bromoethoxyimino)-2-(2-tritylaminothiazol-4-yl)acetate 生成 2-(2-tritylamino-4-thiazolyl)-2-(2-bromoethoxyimino)-acetic acid
  参考文献：
  名称：

  HEYMES, R.;VIGNAU, M.

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl (Z)-2-hydroxyimino-2-(2-triphenylmethylaminothiazol-4-yl)acetate 、 1,2-二溴乙烷 生成 ethyl 2-((Z)-2-bromoethoxyimino)-2-(2-tritylaminothiazol-4-yl)acetate
  参考文献：
  名称：

  VIGNAU, M.;HEYMES, R.

  摘要：

  DOI：

文献信息

• 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.

  合成的新型对映异构体氧肟化合物，化学式为##STR1##其中B为--(CH.sub.2).sub.n' --R.sub.5，n'为1至4的整数，R.sub.5为##STR2##R.sub.6和R.sub.7分别选自氢和1至4个碳原子的烷基，当与它们连接的氮一起时，选自邻苯二甲酰亚胺和1-吡啶基，R.sub.1选自氯，CH.sub.3 O--，1至5个碳原子的烷基和烷硫基，3至5个碳原子的环烷基，--CH.sub.2 --S--R.sub.12，乙酰氧甲基，氨基甲酰氧甲基和##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至4个碳原子的烷酸酰基和氮杂环，Alka为1至4个碳原子的烷基，A选自氢，--NH.sub.4，碱金属，碱土金属，镁，无毒、药用可接受的有机胺和易于水解的酯及其无毒、药用可接受的酸盐；具有抗菌活性及其新型中间体。
• 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。
• 3-substituted-aminomethyl cephalosporin derivatives
  申请人：ICI Pharma

  公开号：US04678781A1

  公开（公告）日：1987-07-07

  A cephalosporin derivative of the formula I: ##STR1## in which X is S, O, CH.sub.2 or SO, R1 is (optionally-substituted)imidazol-2-yl or one of the C-7 acyl groups known in the cephalosporin art, R2 is hydrogen or methoxy, R3 is carboxy or a biodegradable ester thereof and --R4 is of the formula XII, XIII or XIV: ##STR2## in which R32-R40 inclusive are as defined in the specification; and the salts thereof. Pharmaceutical compositions, methods of manufacture and intermediates are also described.

  公式I中的头孢菌素衍生物：##STR1## 其中X为S、O、CH.sub.2或SO，R1为（可选择性取代的）咪唑-2-基或头孢菌素艺术中已知的C-7酰基之一，R2为氢或甲氧基，R3为羧基或其生物降解酯，--R4为公式XII、XIII或XIV：##STR2## 其中R32-R40包括如规范中所定义的；以及其盐。还描述了制药组合物、制造方法和中间体。
• Cephalosporins with sulfur-containing oxyimino side chain
  申请人：Hoffmann-La Roche Inc.

  公开号：US05036064A1

  公开（公告）日：1991-07-30

  Antibacterial compounds of the formula ##STR1## wherein R is a mononuclear carbocyclic aromatic group, a 5-membered aromatic heterocyclic group which contains as the hetero (non-carbon) ring member(s) an oxygen or sulphur atom or an imino or lower alkylimino group and, optionally, one or two nitrogen atoms, or a 6-membered aromatic heterocyclic group which contains one to three nitrogen atoms as the hetero ring member(s); R.sup.1 is hydrogen or a 3-substituent which is usable in cephalosporin chemistry; A is lower alkylene or C.sub.3-7 -cycloalkylene which is optionally substituted with carboxy, carbamoyl, lower alkylcarbamoyl or di(lower alkyl)carbamoyl; Q is lower alkylene or C.sub.3-7 -cycloalkylene which is optionally substituted with carboxy, carbamoyl, lower alkylcarbamoyl or di(lower alkyl)carbamoyl, or the group --NR.sup.2 -- or --NR.sup.2 NR.sup.3 --; R.sup.2 and R.sup.3 are independently hydrogen or lower alkyl; p and m are the zero or 1, n is zero, 1 or 2; R.sup.4 is hydrogen, lower alkanoyl or tri(lower alkyl)silyl; two R.sup.4 groups together represent diphenylmethylene; R.sup.5 is hydrogen, lower alkyl, hydroxy, lower alkoxy, halogen, nitro, --OCOR.sup.7, --OCOOR.sup.71, --N(R.sup.7).sub.2, --NHCOR.sup.7, --NHCOOR.sup.71, --COR.sup.7, --SR.sup.7, --SOR.sup.7, --SO.sub.2 R.sup.7, --SO.sub.3 H, --COOR.sup.7 or --CON(R.sup.7).sub.2 ; R.sup.6 is hydrogen, lower alkyl or halogen, R.sup.7 is hydrogen or lower alkyl; R.sup.71 is lower alkyl, and the two --OR.sup.4 groups are attached to the phenyl ring via adjacent carbon atoms, as well as readily hydrolyzable esters and pharmaceutically acceptable salts of these compounds and hydrates of compounds of formula I and of their esters and salts.

  式子为##STR1##的抗菌化合物，其中R是单核芳香碳环基团，5元杂环芳香基团，其中包含作为杂原子（非碳）环成员的氧或硫原子或亚胺或低烷基亚胺基团，以及可选地，一个或两个氮原子，或者是含有一个到三个氮原子作为杂环成员的6元杂环芳香基团；R.sup.1是氢或可用于头孢菌素化学的3-取代基；A是低烷基或C.sub.3-7-环烷基，它可选地被羧基，氨基甲酰基，低烷基氨基甲酰基或二（低烷基）氨基甲酰基取代；Q是低烷基或C.sub.3-7-环烷基，它可选地被羧基，氨基甲酰基，低烷基氨基甲酰基或二（低烷基）氨基甲酰基取代，或者是--NR.sup.2 --或--NR.sup.2 NR.sup.3 --基团；R.sup.2和R.sup.3独立地是氢或低烷基；p和m为零或1，n为零，1或2；R.sup.4是氢，低烷酰基或三（低烷基）硅基；两个R.sup.4基团共同代表二苯基甲烯基；R.sup.5是氢，低烷基，羟基，低烷氧基，卤素，硝基，--OCOR.sup.7，--OCOOR.sup.71，--N（R.sup.7）.sub.2，--NHCOR.sup.7，--NHCOOR.sup.71，--COR.sup.7，--SR.sup.7，--SOR.sup.7，--SO.sub.2 R.sup.7，--SO.sub.3 H，--COOR.sup.7或--CON（R.sup.7）.sub.2；R.sup.6是氢，低烷基或卤素，R.sup.7是氢或低烷基；R.sup.71是低烷基，而两个--OR.sup.4基团通过相邻的碳原子连接到苯环上，以及这些化合物的容易水解的酯和药学上可接受的盐以及式I和它们的酯和盐的化合物的水合物。
• Cephalosporin intermediates
  申请人：Imperial Chemical Industries PLC

  公开号：US05254679A1

  公开（公告）日：1993-10-19

  A cephalosporin derivative of the formula I: ##STR1## in which X is S, O, CH.sub.2 or SO, ##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.

  一种头孢菌素衍生物，其化学式为I：##STR1## 其中X是S、O、CH.sub.2或SO，##STR2##代表头孢菌素艺术中已知的C-7酰基之一，R3是氢或甲氧基，R4是氢，可选地被取代的烷基或烯丙基，R5是一种芳香杂环环系统，通过碳链连接，并且含有一个季铵化的氮原子。