methyl 4-cyanobenzoate（CAS 1129-35-7）中间体

应用背景（按来源药适应症）

静脉血栓栓塞贝曲沙班肝功能衰退贝曲沙班心房颤动贝曲沙班心房扑动贝曲沙班肾功能不全贝曲沙班血栓栓塞贝曲沙班HIV感染硫酸阿扎那韦/考比司他HIV感染硫酸阿扎那韦获得性免疫缺损综合征硫酸阿扎那韦结核分枝杆菌感染硫酸阿扎那韦一型糖尿病硫酸阿扎那韦肠道疾病Tranexamic acid (Leading BioSciences)术后黏连Tranexamic acid (Leading BioSciences)肠阻塞症Tranexamic acid (Leading BioSciences)胃肠疾病Tranexamic acid (Leading BioSciences)新型冠状病毒感染Tranexamic acid (Leading BioSciences)感染性休克Tranexamic acid (Leading BioSciences)

来源药（使用该中间体的合成路线）

品种	梯队	到期年
贝曲沙班Betrixaban	Tier C · 观察 / 贸易	2028
硫酸阿扎那韦/考比司他Atazanavir Sulfate/Cobicistat	Tier C · 观察 / 贸易	-
硫酸阿扎那韦Atazanavir Sulfate	Tier B · 提前布局	-
Tranexamic acid (Leading BioSciences)	Tier C · 观察 / 贸易	-

合成路线中的位置（上下游链）

按路线登记顺序排列，左→右为合成方向；高亮为当前 CAS，其余可点击跳转对应档案。

贝曲沙班优化路线步数：4总收率：/

6-chloro-N-neopentylnicotinamide→4-cyanobenzoic acid→methyl 4-cyanobenzoate→methyl 4-(N,N-dimethylcarbamimidoyl)benzoate→4-(N,N-dimethylcarbamimidoyl)benzoic acid hydrochloride

硫酸阿扎那韦/考比司他优化路线步数：8总收率：/

tert-butyl hydrazinecarboxylate→tert-butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazine-1-carboxylate→methyl 4-cyanobenzoate→methyl 4-(pyridin-2-yl)benzoate→4-(pyridin-2-yl)benzoic acid→(isobutyl carbonic) 4-(pyridin-2-yl)benzoic anhydride→(S)-tert-butyl (1-oxo-3-phenylpropan-2-yl)carbamate→(1R,2S)-2-((tert-butoxycarbonyl)amino)-1-cyano-3-phenylpropyl 4-(pyridin-2-yl)benzoate→tert-butyl (E)-2-((2R,3S)-3-((tert-butoxycarbonyl)amino)-4-phenyl-2-((4-(pyridin-2-yl)benzoyl)oxy)butylidene)hydrazine-1-carboxylate→tert-butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-4-phenyl-2-((4-(pyridin-2-yl)benzoyl)oxy)butyl)hydrazine-1-carboxylate→tert-butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzoyl)hydrazine-1-carboxylate

硫酸阿扎那韦优化路线步数：8总收率：/

tert-butyl hydrazinecarboxylate→tert-butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazine-1-carboxylate→methyl 4-cyanobenzoate→methyl 4-(pyridin-2-yl)benzoate→4-(pyridin-2-yl)benzoic acid→(isobutyl carbonic) 4-(pyridin-2-yl)benzoic anhydride→(S)-tert-butyl (1-oxo-3-phenylpropan-2-yl)carbamate→(1R,2S)-2-((tert-butoxycarbonyl)amino)-1-cyano-3-phenylpropyl 4-(pyridin-2-yl)benzoate→tert-butyl (E)-2-((2R,3S)-3-((tert-butoxycarbonyl)amino)-4-phenyl-2-((4-(pyridin-2-yl)benzoyl)oxy)butylidene)hydrazine-1-carboxylate→tert-butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-4-phenyl-2-((4-(pyridin-2-yl)benzoyl)oxy)butyl)hydrazine-1-carboxylate→tert-butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzoyl)hydrazine-1-carboxylate

Tranexamic acid (Leading BioSciences)原研路线步数：7总收率：18.7 g

dimethyl terephthalate→potassium 4-(methoxycarbonyl)benzoate→methyl 4-(chlorocarbonyl)benzoate→methyl 4-carbamoylbenzoate→methyl 4-cyanobenzoate→methyl 4-(acetamidomethyl)benzoate→methyl 4-(acetamidomethyl)cyclohexane-1-carboxylate→Tranexamic acid

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