CAS: 64308-63-0; (6R,7R)-Benzhydryl 3-(Chloromethyl)-8-Oxo-7-(2-Phenylacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

该化合物是合成化合物,在制药业有重要用途,具有很强的抗微生物特性,成为开发新抗生素的宝贵工具;二苯甲基酯组增强了稳定性和生物利用率,促进了有效的药物供应;该组也因其结构复杂性而引人注目,因为它具有独特的药理特征.

英文名称(6R,7R)-Benzhydryl 3-(Chloromethyl)-8-Oxo-7-(2-Phenylacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
中文名称7-苯乙酰氨基-3-氯甲基-4-头孢烷酸二苯甲基酯
IUPAC名称benzhydryl (6R,7R)-3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
其它别名7-Phenylacetamide-3-Chloromethyl-3-Cephem-4-Carboxylic Acid Diphenylmethyl Ester; 7-Phenylacetamido-3-Chloromethyl-3-Cephem-4-Carboxylic Acid Diphenyl Methyl Ester; 7-Phenylacetamido-3-Chloromethyl-3-Cephem-4-Carboxyylic Acid Diphenylmethyl Ester; 7-Phenylacetamino-3-Chloromethyl-3-Cephem4-Carboxylic Acid Diphenylmethyl Ester; Gclh; 3-Cloromethyl-8-Oxo-7-Phenylacetylamino-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Diphenylmethyl Este; 7-Phenylacetamido-3-Chloromethyl-3-Cephem-4-Carboxylic Acid; 7-Phenylacetamido-3-Chloromethyl-3-Cephem-4-Carboxylic Aciddi-Phenyl Methyl Ester (Gclh)
CAS编号64308-63-0
MFCD编号:MFCD00191254
分子式:C29H25ClN2O4S
分子量:533.05
产品CID: 1627252
产品分类原料药 → 抗生素类药物 → 头孢菌素类药

相似结构搜索
InChIKey: BCMPVBNNIHFSLU-UFHPHHKVSA-N
BCMPVBNNIHFSLU-UFHPHHKVSA-N…
计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数9.0

物理性质

熔点85-87 °C
沸点778.9±60.0 °C at 760 mmHg
闪点424.9±32.9 °C
密度1.4±0.1 g/cm3
pKa:13.61±0.60(预测)
PSA:101.01
LogP:3.46
折射率1.685
蒸汽压0.0±2.7 mmHg at 25°C
溶解性Chloroform (Slightly, Heated), Methanol (Slightly, Heated, Sonicated)
外观形态白色至米色固体
储存条件2-8°C

上下游产品

(6R,7R)-7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]°Ct-2-ene-2-carboxyli acid diphenylmethyl ester hydr°Chloride phenylacetyl chloride(6R,7R)-3-(4-Methoxy-benzyl)-8-oxo-7-phenylacetylamino-5-thia-1-aza-bicyclo[4.2.0]°Ct-2-ene-2-carboxylic acid benzhydryl ester R)-3-(4-methoxy-benzyl)-8-oxo-7t-(2-phenyl-acetylamino)-(6rH)-5-thia-1-aza-bicyclo[4.2.0]°Ct-2-ene-2-carboxylic acid benzhydryl ester(6R)-3-(4-methoxy-benzyl)-8-oxo-7t-(2-phenyl-acetylamino)-(6rH)-5-thia-1-aza-bicyclo[4.2.0]°Ct-2-ene-2-carboxylic acid benzhydryl ester (6R,7R)-3-Furan-2-ylmethyl-8-oxo-7-phenylacetylamino-5-thia-1-aza-bicyclo[4.2.0]°Ct-2-ene-2-carboxylic acid benzhydryl ester (6R,7R)-8-Oxo-7-phenylacetylamino-3-thiophen-2-ylmethyl-5-thia-1-aza-bicyclo[4.2.0]°Ct-2-ene-2-carboxylic acid benzhydryl ester

合成工艺路线路线简述

Diphenylmethyl 7β-Phenylacetamido-3-Hydroxymethyl-3-Cephem-4-Carboxylate 反应生成 7-苯乙酰氨基-3-氯甲基-4-头孢烷酸二苯甲基酯
参考文献:Angerbauer,R.;Boberg,M.;Metzger,K.;Zeiler,H.-J.
标题:Angerbauer,R.;Boberg,M.;Metzger,K.;Zeiler,H.-J.