3-Methyl-4-carbobenzhydryloxy-7-phenoxyacetamido-Δ³-cephem | 10209-10-6

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 3-Methyl-4-carbobenzhydryloxy-7-phenoxyacetamido-Δ³-cephem
• 英文别名: 2-benzhydryloxycarbonyl-3-methyl-8-oxo-7-phenoxyacetamido-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene；2-benzhydryloxycarbonyl-3-methyl-7-phenoxyacetamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene；3-Methyl-7-phenoxyacetamidoceph-3-em 4-carboxylic Acid Diphenylmethyl Ester；benzhydryl 3-methyl-7-(2-phenoxyacetamido)ceph-3-em-4-carboxylate；diphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate；benzhydryl 7-Phenoxyacetamido-3-Methylceph-3-em-4-Carboxylate；benzhydryl 3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• CAS: 10209-10-6
• 化学式: C₂₉H₂₆N₂O₅S
• 分子量: 514.602
• InChiKey: AUNFRQANODILJJ-UHFFFAOYSA-N

物化性质

• 熔点：
  156-157 °C
• 沸点：
  773.9±60.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-dimethylamino-1-methoxyethylene 、 3-Methyl-4-carbobenzhydryloxy-7-phenoxyacetamido-Δ³-cephem 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.92h， 以This yields a solution of 2-benzhydryloxycarbonyl-7-phenoxyacetamido-3-(2-dimethylaminoprop-1-en-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene, which的产率得到2-Benzhydryloxycarbonyl-7-phenoxyacetamido-3-(2-dimethylaminoprop-1-en-1-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene
  参考文献：
  名称：

  Cephalosporin derivatives

  摘要：

  本发明提供了一种新的头孢菌素衍生物，其一般式为##STR1##，其形式为二环辛-2-烯或二环辛-3-烯，其中R.sub.1是一般式##STR2##的基团[其中R.sub.5为氢、烷基、乙烯基、氰甲基、保护的羧基烷基或保护基团，而R.sub.6为保护基团]或氨基保护基团，R.sub.2为酸保护基团，R.degree.代表各种有机基团，或者R.sub.1是氨基保护基团或各种酰基基团，R.sub.2为保护基团，而R.degree.代表各种有机基团，R.sub.3和R.sub.4是烷基基团，可选择地被烷氧基或二烷基氨基取代，或苯基基团，或--NR.sub.3R.sub.4形成杂环环。这些产物是合成具有抗菌活性的头孢菌素的中间体。

  公开号：

  US04520193A1

文献信息

• 3-Vinyl-cephalosporin derivatives
  申请人：Rhone-Poulenc Industries

  公开号：US04307233A1

  公开（公告）日：1981-12-22

  Novel 3-vinyl-cephalosporin derivates of the general formula ##STR1## in the bicyclooct-2-ene or bicyclooct-3-ene form, in which R.sub.1 is a protective radical or is a radical of the general formula ##STR2## in which R.sub.5 is hydrogen, alkyl, vinyl or cyanomethyl, or a protective radical, and R.sub.6 is hydrogen or a protective radical, and R.sub.2 is a protective radical or an enzymatically removable radical, or R.sub.1 is an acyl radical, which may carry various substituents, and R.sub.2 represents a protective radical, and R.sub.3 and R.sub.4, which are identical or different, represent alkyl (optionally substituted by hydroxyl, alkoxy, amino, alkylamino or dialkylamino) or phenyl, or form, together with the nitrogen atom, a saturated 5-membered or 6-membered heterocyclic ring optionally containing another hetero-atom, their E- and Z-forms and their mixtures, are useful as intermediates for the preparation of 3-thiovinyl cephalosporins useful as antibacterial agents.

  具有通式##STR1##的新型3-乙烯基头孢菌素衍生物，以双环辛-2-烯或双环辛-3-烯形式存在，其中R1为保护基团或具有通式##STR2##的基团，其中R5为氢、烷基、乙烯基或氰甲基，或为保护基团，R6为氢或保护基团，R2为保护基团或酶可去除的基团，或R1为可带有各种取代基的酰基基团，R2表示保护基团，R3和R4相同或不同，表示烷基（可被羟基、烷氧基、氨基、烷基氨基或二烷基氨基取代）或苯基，或与氮原子一起形成含有另一个杂原子的饱和5元或6元杂环环，它们的E型和Z型及其混合物，可作为制备作为抗菌剂有用的3-硫代乙烯基头孢菌素的中介体。
• US4307233A
  申请人：——

  公开号：US4307233A

  公开（公告）日：1981-12-22
• US4365062A
  申请人：——

  公开号：US4365062A

  公开（公告）日：1982-12-21
• US4520193A
  申请人：——

  公开号：US4520193A

  公开（公告）日：1985-05-28
• Cephalosporin derivatives
  申请人：Rhone-Poulenc Industries

  公开号：US04520193A1

  公开（公告）日：1985-05-28

  The invention provides new cephalosporin derivatives of the general formula, ##STR1## which are in the form of a bicyclooct-2-ene or bicyclooct-3-ene, in which formula R.sub.1 is a radical of the general formula ##STR2## [in which R.sub.5 is hydrogen, alkyl, vinyl, cyanomethyl, protected carboxyalkyl or a protective radical and R.sub.6 is a protective radical] or an amino-protecting radical, R.sub.2 is an acid-protecting radical and R.degree. represents various organic radicals, or alternatively R.sub.1 is an amino-protecting radical or various acyl radicals, R.sub.2 is a protective radical and R.degree. represents various organic radicals, and R.sub.3 and R.sub.4 are alkyl radicals optionally substituted by alkoxy or dialkylamino, or phenyl radicals, or --NR.sub.3 R.sub.4 forms a heterocyclic ring. These products are intermediates for the synthesis of cephalosporins having antibacterial activity.

  本发明提供了一种新的头孢菌素衍生物，其一般式为##STR1##，其形式为双环辛二烯或双环辛三烯，在该式中，R.sub.1是一般式##STR2##的基团[其中R.sub.5是氢，烷基，乙烯基，氰甲基，保护羧基烷基或保护基团，R.sub.6是保护基团]或氨基保护基团，R.sub.2是酸保护基团，R.degree.表示各种有机基团，或者R.sub.1是氨基保护基团或各种酰基基团，R.sub.2是保护基团，R.degree.表示各种有机基团，R.sub.3和R.sub.4是烷基，可以被烷氧基或二烷基氨基取代，或苯基，或--NR.sub.3 R.sub.4形成杂环环。这些产品是合成具有抗菌活性的头孢菌素的中间体。