(7R)-7-[(phenylacetyl)amino]-3-trifluoromethanesulfonyloxy-3-cephem-4-carboxylate, 4-methoxybenzyl ester | 123054-30-8

分子结构分类

有机化合物 - 有机杂环化合物 - 内酰胺类

中文名称

——

中文别名

——

英文名称

(7R)-7-[(phenylacetyl)amino]-3-trifluoromethanesulfonyloxy-3-cephem-4-carboxylate, 4-methoxybenzyl ester

英文别名

3-Trifluoromethylsulfonyloxy-Δ³-cephem；p-methoxybenzyl 7β-phenylacetylamino-3-trifluoromethylsulfonyloxy-3-cephem-4-carboxylate；8-oxo-7-phenylacetylamino-3-trifluoromethanesulfonyloxy-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxybenzyl ester；p-methoxybenzyl (6R,7R)-7-phenylacetamido-3-(trifluoromethylsulphonyloxy)ceph-3-em-4-carboxylate；4-methoxybenzyl (6R,7R)-7-phenylacetamido-3-trifluoromethanesulphonyloxyceph-3-em-4-carboxylate；(4-methoxyphenyl)methyl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-(trifluoromethylsulfonyloxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

(7R)-7-[(phenylacetyl)amino]-3-trifluoromethanesulfonyloxy-3-cephem-4-carboxylate, 4-methoxybenzyl ester化学式

CAS

123054-30-8

化学式

C₂₄H₂₁F₃N₂O₈S₂

mdl

——

分子量

586.567

InChiKey

RTUUHJGWBNCWAO-DENIHFKCSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

775.9±60.0 °C(Predicted)
密度：

1.57±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

3.3
重原子数：

39
可旋转键数：

10
环数：

4.0
sp3杂化的碳原子比例：

0.29
拓扑面积：

162
氢给体数：

1
氢受体数：

12

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	p-methoxybenzyl (E)-3-chloro-2-<2-oxo-3-(phenylacetamido)-4-<(phenylsulfonyl)thio>azetidin-1-yl>-4-<<(trifluoromethyl)sulfonyl>oxy>-2-butenoate	168418-30-2	C₃₀H₂₆ClF₃N₂O₁₀S₃	763.19

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	p-methoxybenzyl(1S,6R,7R)-1-oxo-7-phenylacetamido-3-(trifluoro-methanesulphonyloxy)ceph-3-em-4-carboxylate	154256-01-6	C₂₄H₂₁F₃N₂O₉S₂	602.566
头孢克肟GENE杂质	(4-methoxyphenyl)methyl (6R,7R)-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	29126-11-2	C₂₄H₂₄N₂O₅S	452.531
头孢克肟杂质	3-Vinyl-Δ³-cephem	119608-90-1	C₂₅H₂₄N₂O₅S	464.542
——	(6R,7R)-7-phenylacetamido-3-[(Z)-propen-1-yl]-3-cephem-4-carboxylic acid p-methoxybenzyl ester	120635-31-6	C₂₆H₂₆N₂O₅S	478.569
——	(4-methoxyphenyl)methyl (6R,7R)-3-[(1E)-buta-1,3-dienyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	162081-84-7	C₂₇H₂₆N₂O₅S	490.58
——	p-Methoxybenzyl (4S,5S,6S,8R,9R)-4,5-dimethyl-10-oxo-9-phenylacetamido-7-thia-1-azatricyclo[6.2.0.03,6 ]dec-2-ene-2-carboxylate	152999-62-7	C₂₇H₂₈N₂O₅S	492.596
——	p-Methoxybenzyl (5S,6S,8R,9R)-5-butyl-10-oxo-9-phenylacetamido-7-thia-1-azatricyclo[6.2.0.03,6 ]dec-2-ene-2-carboxylate	——	C₂₉H₃₂N₂O₅S	520.649
——	p-Methoxybenzyl (6S,8R,9R)-5,5-dimethyl-10-oxo-9-phenylacetamido-7-thia-1-azatricyclo[6.2.0.03,6 ]dec-2-ene-2-carboxylate	——	C₂₇H₂₈N₂O₅S	492.596
——	p-Methoxybenzyl (6R,8R,9R)-5-ethoxy-10-oxo-9-phenylacetamido-7-thia-1-azatricyclo[6.2.0.03,6 ]deca-2,4-diene-2-carboxylate	——	C₂₇H₂₆N₂O₆S	506.579
——	p-Methoxybenzyl (5S,6R,8R,9R)-10-oxo-5-(2-oxopyrrolidin-1-yl)-9-phenylacetamido-7-thia-1-azatricyclo[6.2.0.03,6 ]dec-2-ene-2-carboxylate	——	C₂₉H₂₉N₃O₆S	547.632
——	p-methoxybenzyl (4S,8S,9S,11R,12R)-13-oxo-12-(phenylacetamido)-10-thia-1-aza-6,7-benzotetracyclo[9.2.0.0^3,9.0^4,8]trideca-2,6-diene-2-carboxylate	——	C₃₂H₂₈N₂O₅S	552.651
——	(7R)-7-[(phenylacetyl)amino]-3-[2,4-bis(hydroxymethyl)phenylthio]-3-cephem-4-carboxylate, 4-methoxybenzyl ester	214341-19-2	C₃₁H₃₀N₂O₇S₂	606.72
——	(7R)-7-[(phenylacetyl)amino]-3-[2,4-bis(chloromethyl)phenylthio]-3-cephem-4-carboxylate, 4-methoxybenzyl ester	214341-20-5	C₃₁H₂₈Cl₂N₂O₅S₂	643.612
——	p-Methoxybenzyl (6S,8R,9R)-10-oxo-5-phenyl-9-phenylacetamido-7-thia-1-azatricyclo[6.2.0.03,6 ]deca-2,4-diene-2-carboxylate	152999-64-9	C₃₁H₂₆N₂O₅S	538.624
——	p-methoxybenzyl (4S,8R,9S,11R,12R)-13-oxo-12-(phenylacetamido)-5-oxa-10-thia-1-aza-6,7-benzotetracyclo[9.2.0.0^3,9.0^4,8]trideca-2,6-diene-2-carboxylate	——	C₃₁H₂₆N₂O₆S	554.623
——	p-methoxybenzyl 3-(imidazo[1,2-b]pyridazine-6-yl)thio-7β-phenylacetylamino-3-cephem-4-carboxylate	342811-88-5	C₂₉H₂₅N₅O₅S₂	587.68
——	(4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[(E)-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	1027028-21-2	C₂₆H₂₈FN₇O₇S₂	633.681
——	(4-methoxyphenyl)methyl (6R,7R)-3-[(1E)-buta-1,3-dienyl]-7-[[(2Z)-2-(2-methoxypropan-2-yloxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	162081-91-6	C₃₂H₃₈N₆O₉S₂	714.821
——	(4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(2-methoxypropan-2-yloxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[(E)-2-(2-methyl-1,2-oxazolidin-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	184972-95-0	C₃₄H₄₃N₇O₁₀S₂	773.888
——	(4-methoxyphenyl)methyl (6R,7R)-3-ethenyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate	181180-41-6	C₂₅H₂₄N₂O₅S	464.542
——	3-methylene-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid 4-methoxybenzyl ester	139371-98-5	C₂₃H₂₂N₂O₅S	438.504

反应信息

作为反应物：

描述：

(7R)-7-[(phenylacetyl)amino]-3-trifluoromethanesulfonyloxy-3-cephem-4-carboxylate, 4-methoxybenzyl ester 在